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""" |
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Metadata for this project. |
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""" |
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import enum |
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import logging |
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import re |
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from dataclasses import dataclass |
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from datetime import datetime, timezone |
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from importlib.metadata import PackageNotFoundError |
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from importlib.metadata import metadata as __load |
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from pathlib import Path |
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from typing import Union, Mapping, Any |
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from pocketutils.core.dot_dict import NestedDotDict |
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pkg = Path(__file__).absolute().parent.name |
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logger = logging.getLogger(pkg) |
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_metadata = None |
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try: |
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_metadata = __load(Path(__file__).absolute().parent.name) |
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__status__ = "Development" |
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__copyright__ = "Copyright 2016–2021" |
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__date__ = "2020-08-14" |
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__uri__ = _metadata["home-page"] |
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__title__ = _metadata["name"] |
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__summary__ = _metadata["summary"] |
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__license__ = _metadata["license"] |
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__version__ = _metadata["version"] |
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__author__ = _metadata["author"] |
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__maintainer__ = _metadata["maintainer"] |
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__contact__ = _metadata["maintainer"] |
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except PackageNotFoundError: # pragma: no cover |
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logger.error(f"Could not load package metadata for {pkg}. Is it installed?") |
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class MandosResources: |
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@classmethod |
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def metadata(cls) -> Mapping[str, Any]: |
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# noinspection PyTypeChecker |
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return _metadata |
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@classmethod |
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def path(cls, *nodes: Union[Path, str]) -> Path: |
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"""Gets a path of a test resource file under resources/.""" |
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return Path(Path(__file__).parent, "resources", *nodes) |
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@classmethod |
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def json(cls, *nodes: Union[Path, str]) -> NestedDotDict: |
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return NestedDotDict.read_json(Path(Path(__file__).parent, "resources", *nodes)) |
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class QueryType(enum.Enum): |
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""" |
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X |
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""" |
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inchi = enum.auto() |
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inchikey = enum.auto() |
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chembl = enum.auto() |
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smiles = enum.auto() |
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class MandosUtils: |
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@classmethod |
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def stars(cls, pvalue: float) -> str: |
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for k, v in {0.001: "*" * 4, 0.005: "*" * 3, 0.01: "*" * 2, 0.05: "*", 0.1: "+"}.items(): |
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if pvalue < k: |
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return v |
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return "ns" |
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@classmethod |
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def get_query_type(cls, inchikey: str) -> QueryType: |
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""" |
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Returns the type of query. |
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Args: |
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inchikey: |
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Returns: |
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""" |
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if inchikey.startswith("InChI="): |
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return QueryType.inchi |
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elif re.compile(r"[A-Z]{14}-[A-Z]{10}-[A-Z]").fullmatch(inchikey): |
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return QueryType.inchikey |
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elif re.compile(r"CHEMBL[0-9]+").fullmatch(inchikey): |
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return QueryType.chembl |
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else: |
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return QueryType.smiles |
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if __name__ == "__main__": # pragma: no cover |
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if _metadata is not None: |
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print(f"{pkg} (v{_metadata['version']})") |
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else: |
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print("Unknown project info") |
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__all__ = ["MandosResources", "QueryType", "MandosUtils"] |
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