| 
                    1
                 | 
                                    
                                                     | 
                
                 | 
                """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    2
                 | 
                                    
                                                     | 
                
                 | 
                Command-line interface for mandos.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    3
                 | 
                                    
                                                     | 
                
                 | 
                """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    4
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    5
                 | 
                                    
                                                     | 
                
                 | 
                from __future__ import annotations  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    6
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    7
                 | 
                                    
                                                     | 
                
                 | 
                import os  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    8
                 | 
                                    
                                                     | 
                
                 | 
                from pathlib import Path  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    9
                 | 
                                    
                                                     | 
                
                 | 
                from typing import Optional  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    10
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    11
                 | 
                                    
                                                     | 
                
                 | 
                import decorateme  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    12
                 | 
                                    
                                                     | 
                
                 | 
                import pandas as pd  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    13
                 | 
                                    
                                                     | 
                
                 | 
                import typer  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    14
                 | 
                                    
                                                     | 
                
                 | 
                from pocketutils.core.chars import Chars  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    15
                 | 
                                    
                                                     | 
                
                 | 
                from pocketutils.core.exceptions import XValueError  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    16
                 | 
                                    
                                                     | 
                
                 | 
                from pocketutils.tools.string_tools import StringTools  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    17
                 | 
                                    
                                                     | 
                
                 | 
                from typeddfs import Checksums, CompressionFormat, FileFormat  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    18
                 | 
                                    
                                                     | 
                
                 | 
                from typeddfs.df_errors import InvalidDfError  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    19
                 | 
                                    
                                                     | 
                
                 | 
                from typeddfs.typed_dfs import PlainTypedDf, TypedDf  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    20
                 | 
                                    
                                                     | 
                
                 | 
                from typeddfs.utils import Utils as TdfUtils  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    21
                 | 
                                    
                                                     | 
                
                 | 
                from typeddfs.utils.cli_help import DfCliHelp  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    22
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    23
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.analysis.filtration import Filtration  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    24
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.analysis.io_defns import (  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    25
                 | 
                                    
                                                     | 
                
                 | 
                    ConcordanceDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    26
                 | 
                                    
                                                     | 
                
                 | 
                    EnrichmentDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    27
                 | 
                                    
                                                     | 
                
                 | 
                    PhiPsiSimilarityDfLongForm,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    28
                 | 
                                    
                                                     | 
                
                 | 
                    PsiProjectedDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    29
                 | 
                                    
                                                     | 
                
                 | 
                    ScoreDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    30
                 | 
                                    
                                                     | 
                
                 | 
                    SimilarityDfLongForm,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    31
                 | 
                                    
                                                     | 
                
                 | 
                )  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    32
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.analysis.reification import Reifier  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    33
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry import entry  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    34
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.tools.docs import Documenter  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    35
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.tools.fillers import CompoundIdFiller, IdMatchDf  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    36
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.tools.multi_searches import MultiSearch, SearchConfigDf  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    37
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.tools.searchers import InputCompoundsDf  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    38
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.utils._arg_utils import Arg, ArgUtils, EntryUtils, Opt  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    39
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.utils._common_args import CommonArgs  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    40
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.entry.utils._common_args import CommonArgs as Ca  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    41
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.apis.g2p_api import CachingG2pApi  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    42
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.hit_dfs import HitDf  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    43
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.settings import SETTINGS  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    44
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.taxonomy import TaxonomyDf  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    45
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.taxonomy_caches import TaxonomyFactories  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    46
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.utils import unlink  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    47
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.utils.globals import Globals  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    48
                 | 
                                    
                                                     | 
                
                 | 
                from mandos.model.utils.setup import LOG_SETUP, logger  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    49
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    50
                 | 
                                    
                                                     | 
                
                 | 
                DEF_SUFFIX = SETTINGS.table_suffix  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    51
                 | 
                                    
                                                     | 
                
                 | 
                nl = "\n\n"  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    52
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    53
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    54
                 | 
                                    
                                                     | 
                
                 | 
                class _InsertedCommandListSingleton:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    55
                 | 
                                    
                                                     | 
                
                 | 
                    commands = None  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    56
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    57
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    58
                 | 
                                    
                                                     | 
                
                 | 
                @decorateme.auto_utils()  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    59
                 | 
                                    
                                                     | 
                
                 | 
                class MiscCommands:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    60
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    61
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    62
                 | 
                                    
                                                     | 
                
                 | 
                    def search(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    63
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.in_compound_table,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    64
                 | 
                                    
                                                     | 
                
                 | 
                        config: Path = Opt.in_file(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    65
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    66
                 | 
                                    
                                                     | 
                
                 | 
                            TOML config file. See the docs.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    67
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    68
                 | 
                                    
                                                     | 
                
                 | 
                            default=...,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    69
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    70
                 | 
                                    
                                                     | 
                
                 | 
                        to: Path = Ca.out_wildcard,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    71
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = Ca.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    72
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    73
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Opt.flag(r"""Overwrite completed and partially completed searches."""),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    74
                 | 
                                    
                                                     | 
                
                 | 
                        proceed: bool = Opt.flag(r"""Continue partially completed searches."""),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    75
                 | 
                                    
                                                     | 
                
                 | 
                        check: bool = Opt.flag("Check and write docs file only; do not run"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    76
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    77
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    78
                 | 
                                    
                                                     | 
                
                 | 
                        Run multiple searches.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    79
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    80
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    81
                 | 
                                    
                                                     | 
                
                 | 
                        default = path.parent / ("search-" + Globals.start_time.strftime("%Y-%m-%d")) | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    82
                 | 
                                    
                                                     | 
                
                 | 
                        # TODO: , suffixes=FileFormat.from_path  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    83
                 | 
                                    
                                                     | 
                
                 | 
                        out_dir, suffix = EntryUtils.adjust_dir_name(to, default)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    84
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Will write {suffix} to {out_dir}{os.sep}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    85
                 | 
                                    
                                                     | 
                
                 | 
                        config_fmt = FileFormat.from_path(config)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    86
                 | 
                                    
                                                     | 
                
                 | 
                        if config_fmt is not FileFormat.toml:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    87
                 | 
                                    
                                                     | 
                
                 | 
                            logger.caution(f"Config format is {config_fmt}, not toml; trying anyway") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    88
                 | 
                                    
                                                     | 
                
                 | 
                        config = SearchConfigDf.read_file(config)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    89
                 | 
                                    
                                                     | 
                
                 | 
                        search = MultiSearch(config, path, out_dir, suffix, replace, proceed, log)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    90
                 | 
                                    
                                                     | 
                
                 | 
                        if not check:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    91
                 | 
                                    
                                                     | 
                
                 | 
                            search.run()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    92
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    93
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    94
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    95
                 | 
                                    
                                                     | 
                
                 | 
                    def init(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    96
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    97
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    98
                 | 
                                    
                                                     | 
                
                 | 
                    ):  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    99
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    100
                 | 
                                    
                                                     | 
                
                 | 
                        Initializes mandos, creating directories, etc.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    101
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    102
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    103
                 | 
                                    
                                                     | 
                
                 | 
                        Globals.mandos_path.mkdir(exist_ok=True, parents=True)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    104
                 | 
                                    
                                                     | 
                
                 | 
                        typer.echo(f"Mandos home dir is {Globals.mandos_path}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    105
                 | 
                                    
                                                     | 
                
                 | 
                        if Globals.settings_path.exists():  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    106
                 | 
                                    
                                                     | 
                
                 | 
                            typer.echo(f"Settings found at {Globals.settings_path}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    107
                 | 
                                    
                                                     | 
                
                 | 
                        else:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    108
                 | 
                                    
                                                     | 
                
                 | 
                            typer.echo("No settings file found") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    109
                 | 
                                    
                                                     | 
                
                 | 
                        typer.echo(f"Log level for stderr is level {logger.current_stderr_log_level}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    110
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    111
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    112
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    113
                 | 
                                    
                                                     | 
                
                 | 
                    def list_settings(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    114
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    115
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    116
                 | 
                                    
                                                     | 
                
                 | 
                    ):  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    117
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    118
                 | 
                                    
                                                     | 
                
                 | 
                        Write the settings to stdout.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    119
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    120
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    121
                 | 
                                    
                                                     | 
                
                 | 
                        defaults = SETTINGS.defaults()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    122
                 | 
                                    
                                                     | 
                
                 | 
                        width = max((len(k) + 2 + len(v) + 1 for k, v in SETTINGS.items()))  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                                                                            
                        
                         
                                                                                        
                                                                                            
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    123
                 | 
                                    
                                                     | 
                
                 | 
                        for k, v in SETTINGS.as_dict():  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    124
                 | 
                                    
                                                     | 
                
                 | 
                            msg = f"{k} = {v}".ljust(width) | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    125
                 | 
                                    
                                                     | 
                
                 | 
                            if v != defaults[k]:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    126
                 | 
                                    
                                                     | 
                
                 | 
                                msg += f" (default: {defaults[k]})" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    127
                 | 
                                    
                                                     | 
                
                 | 
                            typer.echo(msg)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    128
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    129
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    130
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    131
                 | 
                                    
                                                     | 
                
                 | 
                    def document(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    132
                 | 
                                    
                                                     | 
                
                 | 
                        to: Path = Opt.out_file(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    133
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    134
                 | 
                                    
                                                     | 
                
                 | 
                            The path to write command documentation to.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    135
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    136
                 | 
                                    
                                                     | 
                
                 | 
                        `   For machine-readable output: {DfCliHelp.list_formats().get_short_text()}. | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    137
                 | 
                                    
                                                     | 
                
                 | 
                            For formatted output: .txt or .rst [{"/".join([str(c) for c in CompressionFormat.list_non_empty()])} | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    138
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    139
                 | 
                                    
                                                     | 
                
                 | 
                            [default: "commands-level<level>.rst"]  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    140
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    141
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    142
                 | 
                                    
                                                     | 
                
                 | 
                        style: str = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    143
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    144
                 | 
                                    
                                                     | 
                
                 | 
                            The format for formatted text output.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    145
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    146
                 | 
                                    
                                                     | 
                
                 | 
                            Use "table" for machine-readable output, "docs" for long-form reStructuredText,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    147
                 | 
                                    
                                                     | 
                
                 | 
                            or {TdfUtils.join_to_str(TdfUtils.table_formats(), last="or")} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    148
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    149
                 | 
                                    
                                                     | 
                
                 | 
                            "--style",  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    150
                 | 
                                    
                                                     | 
                
                 | 
                            default="docs",  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    151
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    152
                 | 
                                    
                                                     | 
                
                 | 
                        width: int = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    153
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    154
                 | 
                                    
                                                     | 
                
                 | 
                            Max number of characters for a cell before wrap.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    155
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    156
                 | 
                                    
                                                     | 
                
                 | 
                            [default: 0 (none) for machine-readable; 100 for formatted]  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    157
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    158
                 | 
                                    
                                                     | 
                
                 | 
                            default=None,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    159
                 | 
                                    
                                                     | 
                
                 | 
                            show_default=False,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    160
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    161
                 | 
                                    
                                                     | 
                
                 | 
                        level: int = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    162
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    163
                 | 
                                    
                                                     | 
                
                 | 
                            The amount of detail to output.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    164
                 | 
                                    
                                                     | 
                
                 | 
                            (1): 1-line description  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    165
                 | 
                                    
                                                     | 
                
                 | 
                            (2): + params  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    166
                 | 
                                    
                                                     | 
                
                 | 
                            (3) + full description  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    167
                 | 
                                    
                                                     | 
                
                 | 
                            (4) + param 1-line descriptions  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    168
                 | 
                                    
                                                     | 
                
                 | 
                            (5) + param full descriptions  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    169
                 | 
                                    
                                                     | 
                
                 | 
                            (6) + --hidden --common  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    170
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    171
                 | 
                                    
                                                     | 
                
                 | 
                            default=3,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    172
                 | 
                                    
                                                     | 
                
                 | 
                            min=1,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    173
                 | 
                                    
                                                     | 
                
                 | 
                            max=6,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    174
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    175
                 | 
                                    
                                                     | 
                
                 | 
                        no_main: bool = Opt.flag(r"Exclude main commands."),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    176
                 | 
                                    
                                                     | 
                
                 | 
                        no_search: bool = Opt.flag(r"Exclude search commands."),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    177
                 | 
                                    
                                                     | 
                
                 | 
                        hidden: bool = Opt.flag(r"Show hidden commands."),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    178
                 | 
                                    
                                                     | 
                
                 | 
                        common: bool = Opt.flag(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    179
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    180
                 | 
                                    
                                                     | 
                
                 | 
                            Show common arguments and options.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    181
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    182
                 | 
                                    
                                                     | 
                
                 | 
                            Includes --log and --stderr, along with path, --key, --to, etc. for searches.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    183
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    184
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    185
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    186
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = Ca.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    187
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    188
                 | 
                                    
                                                     | 
                
                 | 
                    ):  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    189
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    190
                 | 
                                    
                                                     | 
                
                 | 
                        Write documentation on commands to a file.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    191
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    192
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    193
                 | 
                                    
                                                     | 
                
                 | 
                        if level == 5:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    194
                 | 
                                    
                                                     | 
                
                 | 
                            hidden = common = True  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    195
                 | 
                                    
                                                     | 
                
                 | 
                        if width is None and style != "table":  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    196
                 | 
                                    
                                                     | 
                
                 | 
                            width = 100  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    197
                 | 
                                    
                                                     | 
                
                 | 
                        elif width == 0:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    198
                 | 
                                    
                                                     | 
                
                 | 
                            width = None  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    199
                 | 
                                    
                                                     | 
                
                 | 
                        default = f"commands-level{level}.rst" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    200
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace=replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    201
                 | 
                                    
                                                     | 
                
                 | 
                        Documenter(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    202
                 | 
                                    
                                                     | 
                
                 | 
                            level=level,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    203
                 | 
                                    
                                                     | 
                
                 | 
                            main=not no_main,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    204
                 | 
                                    
                                                     | 
                
                 | 
                            search=not no_search,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    205
                 | 
                                    
                                                     | 
                
                 | 
                            hidden=hidden,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    206
                 | 
                                    
                                                     | 
                
                 | 
                            common=common,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    207
                 | 
                                    
                                                     | 
                
                 | 
                            width=width,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    208
                 | 
                                    
                                                     | 
                
                 | 
                        ).document(_InsertedCommandListSingleton.commands, to, style)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    209
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    210
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    211
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    212
                 | 
                                    
                                                     | 
                
                 | 
                    def fill(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    213
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Arg.in_file(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    214
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    215
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.help(InputCompoundsDf).get_short_text(nl=nl)} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    216
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    217
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    218
                 | 
                                    
                                                     | 
                
                 | 
                        to: Path = Opt.out_path(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    219
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    220
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.help(IdMatchDf).get_short_text(nl=nl)} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    221
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    222
                 | 
                                    
                                                     | 
                
                 | 
                            [default: <path>-ids-<start-time>{DEF_SUFFIX}] | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    223
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    224
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    225
                 | 
                                    
                                                     | 
                
                 | 
                        no_pubchem: bool = Opt.flag("Do not use PubChem.", "--no-pubchem"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    226
                 | 
                                    
                                                     | 
                
                 | 
                        no_chembl: bool = Opt.flag("Do not use ChEMBL.", "--no-chembl"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    227
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    228
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = Ca.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    229
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    230
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    231
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    232
                 | 
                                    
                                                     | 
                
                 | 
                        Fill in missing IDs from existing compound data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    233
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    234
                 | 
                                    
                                                     | 
                
                 | 
                        The idea is to find a ChEMBL ID, a PubChem ID, and parent-compound InChI/InChI Key.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    235
                 | 
                                    
                                                     | 
                
                 | 
                        Useful to check compound/ID associations before running a search.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    236
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    237
                 | 
                                    
                                                     | 
                
                 | 
                        To be filled, each row must should have a non-null value for  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    238
                 | 
                                    
                                                     | 
                
                 | 
                        "inchikey", "chembl_id", and/or "pubchem_id".  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    239
                 | 
                                    
                                                     | 
                
                 | 
                        "inchi" will be used but not to match to PubChem and ChEMBL.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    240
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    241
                 | 
                                    
                                                     | 
                
                 | 
                        No existing columns will be dropped or modified.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    242
                 | 
                                    
                                                     | 
                
                 | 
                        Any conflicting column will be renamed to 'origin_<column>'.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    243
                 | 
                                    
                                                     | 
                
                 | 
                        E.g. 'inchikey' will be renamed to 'origin_inchikey'.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    244
                 | 
                                    
                                                     | 
                
                 | 
                        (Do not include a column beginning with 'origin_').  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    245
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    246
                 | 
                                    
                                                     | 
                
                 | 
                        Final columns (assuming --no-chembl and --no-pubchem) will include:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    247
                 | 
                                    
                                                     | 
                
                 | 
                        inchikey, inchi, pubchem_id, chembl_id, pubchem_inch, chembl_inchi,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    248
                 | 
                                    
                                                     | 
                
                 | 
                        pubchem_inchikey, and chembl_inchikey.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    249
                 | 
                                    
                                                     | 
                
                 | 
                        The "inchikey" and "inchikey" columns will be the "best" available:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    250
                 | 
                                    
                                                     | 
                
                 | 
                        chembl (preferred), then pubchem, then your source inchikey column.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    251
                 | 
                                    
                                                     | 
                
                 | 
                        In cases where PubChem and ChEMBL differ, an error will be logged.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    252
                 | 
                                    
                                                     | 
                
                 | 
                        You can always check the columns "origin_inchikey" (yours),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    253
                 | 
                                    
                                                     | 
                
                 | 
                        chembl_inchikey, and pubchem_inchikey.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    254
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    255
                 | 
                                    
                                                     | 
                
                 | 
                        The steps are:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    256
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    257
                 | 
                                    
                                                     | 
                
                 | 
                        - If "chembl_id" or "pubchem_id" is non-null, uses that to find an InChI Key (for each).  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    258
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    259
                 | 
                                    
                                                     | 
                
                 | 
                        - Otherwise, if only "inchikey" is non-null, uses it to find ChEMBL and PubChem records.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    260
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    261
                 | 
                                    
                                                     | 
                
                 | 
                        - Log an error if the inchikeys or inchis differ between PubChem and ChEMBL.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    262
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    263
                 | 
                                    
                                                     | 
                
                 | 
                        - Set the final "inchi" and "inchikey" to the best choice,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    264
                 | 
                                    
                                                     | 
                
                 | 
                          falling back to the input inchi and inchikey if they are missing.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    265
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    266
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    267
                 | 
                                    
                                                     | 
                
                 | 
                        default = str(Path(path).with_suffix("")) + "-filled" + "".join(path.suffixes) | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    268
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace=replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    269
                 | 
                                    
                                                     | 
                
                 | 
                        df = IdMatchDf.read_file(path)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    270
                 | 
                                    
                                                     | 
                
                 | 
                        df = CompoundIdFiller(chembl=not no_chembl, pubchem=not no_pubchem).fill(df)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    271
                 | 
                                    
                                                     | 
                
                 | 
                        df.write_file(to)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    272
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    273
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    274
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    275
                 | 
                                    
                                                     | 
                
                 | 
                    def cache_data(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    276
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.in_compound_table,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    277
                 | 
                                    
                                                     | 
                
                 | 
                        no_pubchem: bool = Opt.flag(r"Do not download data from PubChem", "--no-pubchem"),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    278
                 | 
                                    
                                                     | 
                
                 | 
                        no_chembl: bool = Opt.flag(r"Do not fetch IDs from ChEMBL", "--no_chembl"),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    279
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    280
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    281
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    282
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    283
                 | 
                                    
                                                     | 
                
                 | 
                        Fetch and cache compound data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    284
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    285
                 | 
                                    
                                                     | 
                
                 | 
                        Useful to freeze data before running a search.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    286
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    287
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    288
                 | 
                                    
                                                     | 
                
                 | 
                        df = IdMatchDf.read_file(path)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    289
                 | 
                                    
                                                     | 
                
                 | 
                        CompoundIdFiller(chembl=not no_chembl, pubchem=not no_pubchem).fill(df)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    290
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Done caching")  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    291
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    292
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    293
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    294
                 | 
                                    
                                                     | 
                
                 | 
                    def export_taxa(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    295
                 | 
                                    
                                                     | 
                
                 | 
                        taxa: str = Ca.taxa,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    296
                 | 
                                    
                                                     | 
                
                 | 
                        to: Path = Opt.out_path(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    297
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    298
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.help(TaxonomyDf).get_short_text(nl=nl)} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    299
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    300
                 | 
                                    
                                                     | 
                
                 | 
                            [default: ./<taxa>-<datetime>{DEF_SUFFIX}] | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    301
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    302
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    303
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    304
                 | 
                                    
                                                     | 
                
                 | 
                        in_cache: bool = CommonArgs.in_cache,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    305
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    306
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    307
                 | 
                                    
                                                     | 
                
                 | 
                    ):  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    308
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    309
                 | 
                                    
                                                     | 
                
                 | 
                        Export a taxonomic tree to a table.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    310
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    311
                 | 
                                    
                                                     | 
                
                 | 
                        Writes a taxonomy of given taxa and their descendants to a table.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    312
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    313
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    314
                 | 
                                    
                                                     | 
                
                 | 
                        default = taxa + "-" + Globals.start_timestamp_filesys + DEF_SUFFIX  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    315
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace=replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    316
                 | 
                                    
                                                     | 
                
                 | 
                        tax = ArgUtils.get_taxonomy(taxa, local_only=in_cache, allow_forbid=False).get  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    317
                 | 
                                    
                                                     | 
                
                 | 
                        tax.to_df().write_file(to, mkdirs=True, file_hash=True)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                                                                
            
                                    
            
            
                | 
                    318
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    319
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    320
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    321
                 | 
                                    
                                                     | 
                
                 | 
                    def cache_taxa(  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    322
                 | 
                                    
                                                     | 
                
                 | 
                        taxa: str = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                        
                            
            
                                    
            
            
                | 
                    323
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    324
                 | 
                                    
                                                     | 
                
                 | 
                            Either "@all" or a comma-separated list of UniProt taxon IDs.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    325
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    326
                 | 
                                    
                                                     | 
                
                 | 
                            "@all" is only valid when --replace is passed;  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    327
                 | 
                                    
                                                     | 
                
                 | 
                            this will regenerate all taxonomy files that are found in the cache.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    328
                 | 
                                    
                                                     | 
                
                 | 
                            Aliases "vertebrata", "cellular", and "viral" are permitted.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    329
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    330
                 | 
                                    
                                                     | 
                
                 | 
                            default="",  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    331
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    332
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                        
                            
            
                                    
            
            
                | 
                    333
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                        
                            
            
                                    
            
            
                | 
                    334
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                        
                            
            
                                    
            
            
                | 
                    335
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    336
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    337
                 | 
                                    
                                                     | 
                
                 | 
                        Prep a new taxonomy file for use in mandos.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    338
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    339
                 | 
                                    
                                                     | 
                
                 | 
                        With --replace set, will delete any existing file.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    340
                 | 
                                    
                                                     | 
                
                 | 
                        This can be useful to make sure your cached taxonomy is up-to-date before running.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    341
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    342
                 | 
                                    
                                                     | 
                
                 | 
                        Downloads and converts a tab-separated file from UniProt.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    343
                 | 
                                    
                                                     | 
                
                 | 
                        (To find manually, follow the ``All lower taxonomy nodes`` link and click ``Download``.)  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    344
                 | 
                                    
                                                     | 
                
                 | 
                        Then applies fixes and reduces the file size, creating a new file alongside.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    345
                 | 
                                    
                                                     | 
                
                 | 
                        Puts both the raw data and fixed data in the cache under ``~/.mandos/taxonomy/``.  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    346
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    347
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    348
                 | 
                                    
                                                     | 
                
                 | 
                        if taxa == "@all" and not replace:  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    349
                 | 
                                    
                                                     | 
                
                 | 
                            raise XValueError(f"Use --replace with '@all'")  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                        
                            
            
                                    
            
            
                | 
                    350
                 | 
                                    
                                                     | 
                
                 | 
                        # we're good to go:  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    351
                 | 
                                    
                                                     | 
                
                 | 
                        factory = TaxonomyFactories.main()  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    352
                 | 
                                    
                                                     | 
                
                 | 
                        if taxa == "@all":  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    353
                 | 
                                    
                                                     | 
                
                 | 
                            taxa = TaxonomyFactories.list_cached_files().keys()  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    354
                 | 
                                    
                                                     | 
                
                 | 
                        else:  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    355
                 | 
                                    
                                                     | 
                
                 | 
                            taxa = ArgUtils.parse_taxa_ids(taxa)  | 
            
            
                                                                        
                            
            
                                    
            
            
                | 
                    356
                 | 
                                    
                                                     | 
                
                 | 
                        factory.rebuild(taxa, replace=replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    357
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    358
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    359
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    360
                 | 
                                    
                                                     | 
                
                 | 
                    def cache_g2p(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    361
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    362
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    363
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    364
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    365
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    366
                 | 
                                    
                                                     | 
                
                 | 
                        Caches GuideToPharmacology data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    367
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    368
                 | 
                                    
                                                     | 
                
                 | 
                        With --replace set, will overwrite existing cached data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    369
                 | 
                                    
                                                     | 
                
                 | 
                        Data will generally be stored under``~/.mandos/g2p/``.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    370
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    371
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    372
                 | 
                                    
                                                     | 
                
                 | 
                        api = CachingG2pApi(SETTINGS.g2p_cache_path)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    373
                 | 
                                    
                                                     | 
                
                 | 
                        api.download(force=replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    374
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    375
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    376
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    377
                 | 
                                    
                                                     | 
                
                 | 
                    def cache_clear(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    378
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    379
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    380
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    381
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    382
                 | 
                                    
                                                     | 
                
                 | 
                        Deletes all cached data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    383
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    384
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    385
                 | 
                                    
                                                     | 
                
                 | 
                        paths = ", ".join(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    386
                 | 
                                    
                                                     | 
                
                 | 
                            [str(p.relative_to(SETTINGS.cache_path)) for p in SETTINGS.all_cache_paths]  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    387
                 | 
                                    
                                                     | 
                
                 | 
                        )  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    388
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Will recursively delete: {paths}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    389
                 | 
                                    
                                                     | 
                
                 | 
                        for p in SETTINGS.all_cache_paths:  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    390
                 | 
                                    
                                                     | 
                
                 | 
                            unlink(p, missing_ok=True)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    391
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice("Deleted all cached data") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    392
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    393
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    394
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    395
                 | 
                                    
                                                     | 
                
                 | 
                    def concat(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    396
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Arg.in_dir(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    397
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    398
                 | 
                                    
                                                     | 
                
                 | 
                            Directory containing results from a mandos search.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    399
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    400
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.list_formats().get_short_text()} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    401
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    402
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    403
                 | 
                                    
                                                     | 
                
                 | 
                        to: Optional[Path] = Ca.out_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    404
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    405
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    406
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    407
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    408
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    409
                 | 
                                    
                                                     | 
                
                 | 
                        Concatenate Mandos annotation files into one.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    410
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    411
                 | 
                                    
                                                     | 
                
                 | 
                        Note that ``:search`` automatically performs this;  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    412
                 | 
                                    
                                                     | 
                
                 | 
                        this is needed only if you want to combine results from multiple independent searches.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    413
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    414
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    415
                 | 
                                    
                                                     | 
                
                 | 
                        files_ = []  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    416
                 | 
                                    
                                                     | 
                
                 | 
                        for file in path.iterdir():  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    417
                 | 
                                    
                                                     | 
                
                 | 
                            ff = FileFormat.from_path_or_none(file)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    418
                 | 
                                    
                                                     | 
                
                 | 
                            if ff not in [None, FileFormat.json, FileFormat.ini, FileFormat.toml]:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    419
                 | 
                                    
                                                     | 
                
                 | 
                                files_.append(file)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    420
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Looking under {path} (NOT recursive)") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    421
                 | 
                                    
                                                     | 
                
                 | 
                        logger.info(f"Found {len(files_):,} potential input files: {[f.name for f in files_]}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    422
                 | 
                                    
                                                     | 
                
                 | 
                        files, names, dfs = [], [], []  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    423
                 | 
                                    
                                                     | 
                
                 | 
                        for file in files_:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    424
                 | 
                                    
                                                     | 
                
                 | 
                            df: HitDf = HitDf.read_file(file, attrs=True)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    425
                 | 
                                    
                                                     | 
                
                 | 
                            files.append(file)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    426
                 | 
                                    
                                                     | 
                
                 | 
                            names.append(FileFormat.strip(file).name)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    427
                 | 
                                    
                                                     | 
                
                 | 
                            dfs.append(df)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    428
                 | 
                                    
                                                     | 
                
                 | 
                        default = path / (",".join(names) + DEF_SUFFIX) | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    429
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    430
                 | 
                                    
                                                     | 
                
                 | 
                        df = HitDf.of(dfs, keys=names)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    431
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Concatenated {len(files):,} files") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    432
                 | 
                                    
                                                     | 
                
                 | 
                        for f_, df_ in zip(files, dfs):  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    433
                 | 
                                    
                                                     | 
                
                 | 
                            logger.success(f"Included: {f_.name} with {len(df_):,} rows") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    434
                 | 
                                    
                                                     | 
                
                 | 
                        counts = {k: v for k, v in df.group_by("universal_id").count().to_dict() if v > 0} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    435
                 | 
                                    
                                                     | 
                
                 | 
                        if len(counts) > 0:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    436
                 | 
                                    
                                                     | 
                
                 | 
                            logger.error(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    437
                 | 
                                    
                                                     | 
                
                 | 
                                f"There are {len(counts):,} universal IDs with duplicates!" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    438
                 | 
                                    
                                                     | 
                
                 | 
                                + f": {StringTools.join_kv(counts)}" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    439
                 | 
                                    
                                                     | 
                
                 | 
                            )  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    440
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Wrote {len(df):,} rows to {to}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    441
                 | 
                                    
                                                     | 
                
                 | 
                        df.write_file(to, mkdirs=True, attrs=True, file_hash=True)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    442
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    443
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    444
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    445
                 | 
                                    
                                                     | 
                
                 | 
                    def filter(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                                                                            
                        
                         
                                                                                        
                                                                                            
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    446
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.out_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    447
                 | 
                                    
                                                     | 
                
                 | 
                        by: Optional[Path] = Arg.in_file(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    448
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    449
                 | 
                                    
                                                     | 
                
                 | 
                            Path to a file containing filters.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    450
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    451
                 | 
                                    
                                                     | 
                
                 | 
                            See the docs for more info.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    452
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    453
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    454
                 | 
                                    
                                                     | 
                
                 | 
                        to: Optional[Path] = Ca.out_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    455
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    456
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    457
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    458
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    459
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    460
                 | 
                                    
                                                     | 
                
                 | 
                        Filters by simple expressions.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    461
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    462
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    463
                 | 
                                    
                                                     | 
                
                 | 
                        default = str(path) + "-filter-" + by.stem + DEF_SUFFIX  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    464
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    465
                 | 
                                    
                                                     | 
                
                 | 
                        df = HitDf.read_file(path)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    466
                 | 
                                    
                                                     | 
                
                 | 
                        Filtration.from_file(by).apply(df).write_file(to)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    467
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    468
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    469
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    470
                 | 
                                    
                                                     | 
                
                 | 
                    def export_state(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    471
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.in_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    472
                 | 
                                    
                                                     | 
                
                 | 
                        to: Optional[Path] = Opt.out_path(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    473
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    474
                 | 
                                    
                                                     | 
                
                 | 
                            Path to the output file.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    475
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    476
                 | 
                                    
                                                     | 
                
                 | 
                            Valid formats and filename suffixes are .nt and .txt with an optional .gz, .zip, or .xz.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    477
                 | 
                                    
                                                     | 
                
                 | 
                            If only a filename suffix is provided, will use that suffix with the default directory.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    478
                 | 
                                    
                                                     | 
                
                 | 
                            If no suffix is provided, will interpret the path as a directory and use the default filename.  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    479
                 | 
                                    
                                                     | 
                
                 | 
                            Will fail if the file exists and ``--replace`` is not set.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    480
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    481
                 | 
                                    
                                                     | 
                
                 | 
                            [default: <path>-statements.nt]  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    482
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    483
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    484
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    485
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    486
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    487
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    488
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    489
                 | 
                                    
                                                     | 
                
                 | 
                        Output simple N-triples statements.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    490
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    491
                 | 
                                    
                                                     | 
                
                 | 
                        Each statement is of this form, where the InChI Key refers to the input data:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    492
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    493
                 | 
                                    
                                                     | 
                
                 | 
                        `"InChI Key" "predicate" "object" .`  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    494
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    495
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    496
                 | 
                                    
                                                     | 
                
                 | 
                        default = f"{path}-statements.nt" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    497
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    498
                 | 
                                    
                                                     | 
                
                 | 
                        hits = HitDf.read_file(path).to_hits()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    499
                 | 
                                    
                                                     | 
                
                 | 
                        with to.open() as f:  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    500
                 | 
                                    
                                                     | 
                
                 | 
                            for hit in hits:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    501
                 | 
                                    
                                                     | 
                
                 | 
                                f.write(hit.to_triple.n_triples)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    502
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    503
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    504
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    505
                 | 
                                    
                                                     | 
                
                 | 
                    def export_reify(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    506
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.in_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    507
                 | 
                                    
                                                     | 
                
                 | 
                        to: Optional[Path] = Opt.out_path(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    508
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    509
                 | 
                                    
                                                     | 
                
                 | 
                            Path to the output file.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    510
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    511
                 | 
                                    
                                                     | 
                
                 | 
                            The filename suffix should be either .nt (N-triples) or .ttl (Turtle),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    512
                 | 
                                    
                                                     | 
                
                 | 
                            with an optional .gz, .zip, or .xz.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    513
                 | 
                                    
                                                     | 
                
                 | 
                            If only a filename suffix is provided, will use that suffix with the default directory.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    514
                 | 
                                    
                                                     | 
                
                 | 
                            If no suffix is provided, will interpret the path as a directory but use the default filename.  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    515
                 | 
                                    
                                                     | 
                
                 | 
                            Will fail if the file exists and ``--replace`` is not set.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    516
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    517
                 | 
                                    
                                                     | 
                
                 | 
                            [default: <path>-reified.nt]  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    518
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    519
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    520
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    521
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    522
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    523
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    524
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    525
                 | 
                                    
                                                     | 
                
                 | 
                        Outputs reified semantic triples.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    526
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    527
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    528
                 | 
                                    
                                                     | 
                
                 | 
                        default = f"{path}-reified.nt" | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    529
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    530
                 | 
                                    
                                                     | 
                
                 | 
                        hits = HitDf.read_file(path).to_hits()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    531
                 | 
                                    
                                                     | 
                
                 | 
                        with to.open() as f:  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    532
                 | 
                                    
                                                     | 
                
                 | 
                            for triple in Reifier().reify(hits):  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    533
                 | 
                                    
                                                     | 
                
                 | 
                                f.write(triple.n_triples)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    534
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    535
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    536
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    537
                 | 
                                    
                                                     | 
                
                 | 
                    def export_copy(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    538
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    539
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    540
                 | 
                                    
                                                     | 
                
                 | 
                            Path to a CSV-like file corresponding to --what.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    541
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    542
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.list_formats().get_short_text()} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    543
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    544
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    545
                 | 
                                    
                                                     | 
                
                 | 
                        what: str = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    546
                 | 
                                    
                                                     | 
                
                 | 
                            r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    547
                 | 
                                    
                                                     | 
                
                 | 
                            The type of data.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    548
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    549
                 | 
                                    
                                                     | 
                
                 | 
                            Options: "hits", "compounds", "score", "enrichment",  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    550
                 | 
                                    
                                                     | 
                
                 | 
                            "matrix" (long-form similarity), "concordance", "phi-psi",  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    551
                 | 
                                    
                                                     | 
                
                 | 
                            "projection", or "data" (arbitrary data).  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    552
                 | 
                                    
                                                     | 
                
                 | 
                            """,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    553
                 | 
                                    
                                                     | 
                
                 | 
                            default="hits",  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    554
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    555
                 | 
                                    
                                                     | 
                
                 | 
                        to: Optional[Path] = Opt.out_path(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    556
                 | 
                                    
                                                     | 
                
                 | 
                            rf"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    557
                 | 
                                    
                                                     | 
                
                 | 
                            Path to the output file.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    558
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    559
                 | 
                                    
                                                     | 
                
                 | 
                            {DfCliHelp.list_formats().get_short_text()} | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    560
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    561
                 | 
                                    
                                                     | 
                
                 | 
                            [default: <path.parent>/export{DEF_SUFFIX}] | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    562
                 | 
                                    
                                                     | 
                
                 | 
                            """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    563
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    564
                 | 
                                    
                                                     | 
                
                 | 
                        replace: bool = Ca.replace,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    565
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    566
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    567
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    568
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    569
                 | 
                                    
                                                     | 
                
                 | 
                        Copies and/or converts annotation files.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    570
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    571
                 | 
                                    
                                                     | 
                
                 | 
                        Example: ``:export:copy --to .snappy`` to highly compress a data set.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    572
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    573
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    574
                 | 
                                    
                                                     | 
                
                 | 
                        default = path.parent / DEF_SUFFIX  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    575
                 | 
                                    
                                                     | 
                
                 | 
                        what = dict(  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    576
                 | 
                                    
                                                     | 
                
                 | 
                            compounds=InputCompoundsDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    577
                 | 
                                    
                                                     | 
                
                 | 
                            hits=HitDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    578
                 | 
                                    
                                                     | 
                
                 | 
                            matrix=SimilarityDfLongForm,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    579
                 | 
                                    
                                                     | 
                
                 | 
                            scores=ScoreDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    580
                 | 
                                    
                                                     | 
                
                 | 
                            enrichment=EnrichmentDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    581
                 | 
                                    
                                                     | 
                
                 | 
                            phi_psi=PhiPsiSimilarityDfLongForm,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    582
                 | 
                                    
                                                     | 
                
                 | 
                            concordance=ConcordanceDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    583
                 | 
                                    
                                                     | 
                
                 | 
                            projection=PsiProjectedDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    584
                 | 
                                    
                                                     | 
                
                 | 
                            data=PlainTypedDf,  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    585
                 | 
                                    
                                                     | 
                
                 | 
                        )[what.lower().strip().replace("-", "_")] | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    586
                 | 
                                    
                                                     | 
                
                 | 
                        to = EntryUtils.adjust_filename(to, default, replace)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    587
                 | 
                                    
                                                     | 
                
                 | 
                        attrs_path = path.parent / (path.name + ".attrs.json")  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    588
                 | 
                                    
                                                     | 
                
                 | 
                        hash_path = Checksums().get_filesum_of_file(path)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    589
                 | 
                                    
                                                     | 
                
                 | 
                        attrs, file_hash = attrs_path.exists(), hash_path.exists()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    590
                 | 
                                    
                                                     | 
                
                 | 
                        logger.info(f"Reading attributes: {attrs}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    591
                 | 
                                    
                                                     | 
                
                 | 
                        logger.info(f"Reading checksum file: {file_hash}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    592
                 | 
                                    
                                                     | 
                
                 | 
                        df: TypedDf = what.read_file(path, attrs=attrs, file_hash=file_hash)  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    593
                 | 
                                    
                                                     | 
                
                 | 
                        df.write_file(to, mkdirs=True, attrs=attrs, file_hash=file_hash)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    594
                 | 
                                    
                                                     | 
                
                 | 
                        logger.notice(f"Exported {path} to {path} ({len(df):,} rows") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    595
                 | 
                                    
                                                     | 
                
                 | 
                        if attrs:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    596
                 | 
                                    
                                                     | 
                
                 | 
                            logger.info(f"Wrote attributes to {attrs_path}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    597
                 | 
                                    
                                                     | 
                
                 | 
                        if file_hash:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    598
                 | 
                                    
                                                     | 
                
                 | 
                            logger.info(f"Wrote single-file checksum to {hash_path}") | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    599
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    600
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    601
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    602
                 | 
                                    
                                                     | 
                
                 | 
                    def serve(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    603
                 | 
                                    
                                                     | 
                
                 | 
                        port: int = Opt.val(r"Port to serve on", default=1540),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    604
                 | 
                                    
                                                     | 
                
                 | 
                        db: str = Opt.val("Name of the MySQL database", default="mandos"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    605
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = Ca.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    606
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    607
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    608
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    609
                 | 
                                    
                                                     | 
                
                 | 
                        Start a REST server.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    610
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    611
                 | 
                                    
                                                     | 
                
                 | 
                        The connection information is stored in your global settings file.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    612
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    613
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    614
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    615
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    616
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    617
                 | 
                                    
                                                     | 
                
                 | 
                    def export_db(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    618
                 | 
                                    
                                                     | 
                
                 | 
                        path: Path = Ca.in_annotations_file,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    619
                 | 
                                    
                                                     | 
                
                 | 
                        db: str = Opt.val(r"Name of the MySQL database", default="mandos"),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    620
                 | 
                                    
                                                     | 
                
                 | 
                        host: str = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    621
                 | 
                                    
                                                     | 
                
                 | 
                            r"Database hostname (ignored if ``--socket`` is passed", default="127.0.0.1"  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    622
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    623
                 | 
                                    
                                                     | 
                
                 | 
                        socket: Optional[str] = Opt.val("Path to a Unix socket (if set, ``--host`` is ignored)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    624
                 | 
                                    
                                                     | 
                
                 | 
                        user: Optional[str] = Opt.val("Database username (empty if not set)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    625
                 | 
                                    
                                                     | 
                
                 | 
                        password: Optional[str] = Opt.val("Database password (empty if not set)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    626
                 | 
                                    
                                                     | 
                
                 | 
                        as_of: Optional[str] = CommonArgs.as_of,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    627
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    628
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    629
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    630
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    631
                 | 
                                    
                                                     | 
                
                 | 
                        Export to a relational database.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    632
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    633
                 | 
                                    
                                                     | 
                
                 | 
                        Saves data from Mandos search commands to a database for serving via REST.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    634
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    635
                 | 
                                    
                                                     | 
                
                 | 
                        See also: ``:serve``.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    636
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    637
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    638
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    639
                 | 
                                    
                                                     | 
                
                 | 
                    @staticmethod  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    640
                 | 
                                    
                                                     | 
                
                 | 
                    @entry()  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    641
                 | 
                                    
                                                     | 
                
                 | 
                    def init_db(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    642
                 | 
                                    
                                                     | 
                
                 | 
                        db: str = Opt.val(r"Name of the MySQL database", default="mandos"),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    643
                 | 
                                    
                                                     | 
                
                 | 
                        host: str = Opt.val(  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    644
                 | 
                                    
                                                     | 
                
                 | 
                            r"Database hostname (ignored if ``--socket`` is passed", default="127.0.0.1"  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    645
                 | 
                                    
                                                     | 
                
                 | 
                        ),  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    646
                 | 
                                    
                                                     | 
                
                 | 
                        socket: Optional[str] = Opt.val("Path to a Unix socket (if set, ``--host`` is ignored)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    647
                 | 
                                    
                                                     | 
                
                 | 
                        user: Optional[str] = Opt.val("Database username (empty if not set)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    648
                 | 
                                    
                                                     | 
                
                 | 
                        password: Optional[str] = Opt.val("Database password (empty if not set)"), | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    649
                 | 
                                    
                                                     | 
                
                 | 
                        overwrite: bool = Opt.flag(r"Delete the database if it exists"),  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    650
                 | 
                                    
                                                     | 
                
                 | 
                        yes: bool = Ca.yes,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                                                                        
                        
                         
                                                                                        
                                                                                            
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    651
                 | 
                                    
                                                     | 
                
                 | 
                        log: Optional[Path] = CommonArgs.log,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    652
                 | 
                                    
                                                     | 
                
                 | 
                        stderr: str = CommonArgs.stderr,  | 
            
                            
                    | 
                        
                     | 
                     | 
                     | 
                    
                                                                                                    
                        
                         
                                                                                        
                                                                                     
                     | 
                
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    653
                 | 
                                    
                                                     | 
                
                 | 
                    ) -> None:  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    654
                 | 
                                    
                                                     | 
                
                 | 
                        r"""  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    655
                 | 
                                    
                                                     | 
                
                 | 
                        Initialize an empty database.  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    656
                 | 
                                    
                                                     | 
                
                 | 
                        """  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    657
                 | 
                                    
                                                     | 
                
                 | 
                        LOG_SETUP(log, stderr)  | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    658
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                            
            
                                    
            
            
                | 
                    659
                 | 
                                    
                                                     | 
                
                 | 
                 | 
            
            
                                                                                                            
                                                                
            
                                    
            
            
                | 
                    660
                 | 
                                    
                                                     | 
                
                 | 
                __all__ = ["MiscCommands"]  | 
            
            
                                                        
            
                                    
            
            
                | 
                    661
                 | 
                                    
                                                     | 
                
                 | 
                 |