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from __future__ import annotations |
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import abc |
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import dataclasses |
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from typing import Any, Generic, Mapping, Sequence, TypeVar |
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from pocketutils.core.exceptions import XTypeError |
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from suretime import Suretime |
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from mandos.model.hit_dfs import HitDf |
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from mandos.model.hits import AbstractHit |
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from mandos.model.utils.reflection_utils import ReflectionUtils |
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from mandos.model.utils.resources import MandosResources |
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H = TypeVar("H", bound=AbstractHit, covariant=True) |
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class SearchError(Exception): |
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""" |
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Wrapper for any exception raised in ``find`` except for ``CompoundNotFoundError``. |
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""" |
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def __init__( |
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self, |
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*args, |
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inchikey: str = None, |
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search_key: str = None, |
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search_class: str = None, |
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**kwargs, |
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): |
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super().__init__(*args, *kwargs) |
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self.inchikey = inchikey |
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self.search_key = search_key |
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self.search_class = search_class |
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class Search(Generic[H], metaclass=abc.ABCMeta): |
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""" |
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Something to search and how to do it. |
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""" |
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def __init__(self, key: str): |
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self.key = key |
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@classmethod |
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def primary_data_source(cls) -> str: |
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z = MandosResources.strings[cls.__name__]["source"] |
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# TODO: really? |
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return z.split(":")[0] |
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@property |
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def search_class(self) -> str: |
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return self.__class__.__name__ |
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@classmethod |
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def search_name(cls) -> str: |
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return cls.__name__.lower().replace("search", "") |
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def get_params(self) -> Mapping[str, Any]: |
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""" |
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Returns the *parameters* of this ``Search`` their values. |
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Parameters are attributes that do not begin with an underscore. |
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""" |
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return {key: value for key, value in vars(self).items() if not key.startswith("_")} |
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def find(self, inchikey: str) -> Sequence[H]: |
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# override this |
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raise NotImplementedError() |
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@classmethod |
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def hit_fields(cls) -> Sequence[str]: |
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""" |
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Gets the fields in the Hit type parameter. |
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""" |
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# Okay, there's a lot of magic going on here |
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# We need to access the _parameter_ H on cls -- raw `H` doesn't work |
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# get_args and __orig_bases__ do this for us |
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# then dataclasses.fields gives us the dataclass fields |
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# there's also actual_h.__annotations__, but that doesn't include ClassVar and InitVar |
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# (not that we're using those) |
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# If this magic is too magical, we can make this an abstract method |
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# But that would be a lot of excess code and it might be less modular |
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x = cls.get_h() |
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# noinspection PyDataclass |
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return [f.name for f in dataclasses.fields(x) if f.name != "search_class"] |
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@classmethod |
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def get_h(cls): |
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""" |
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Returns the underlying hit TypeVar, ``H``. |
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""" |
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# noinspection PyTypeChecker |
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return ReflectionUtils.get_generic_arg(cls, AbstractHit) |
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def _format_source(self, **kwargs) -> str: |
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s = MandosResources.strings[self.search_class]["source"] |
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for k, v in kwargs.items(): |
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s = s.replace(f"{{{k}}}", str(v)) |
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return s |
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def _format_predicate(self, **kwargs) -> str: |
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s = MandosResources.strings[self.search_class]["predicate"] |
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for k, v in kwargs.items(): |
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s = s.replace(f"{{{k}}}", str(v)) |
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return s |
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def _create_hit( |
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self, |
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c_origin: str, |
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c_matched: str, |
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c_id: str, |
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c_name: str, |
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data_source: str, |
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predicate: str, |
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object_id: str, |
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object_name: str, |
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**kwargs, |
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) -> H: |
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# ignore statement -- we've removed it for now |
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entry = dict( |
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record_id=None, |
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search_key=self.key, |
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search_class=self.search_class, |
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data_source=data_source, |
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run_date=Suretime.tagged.now_utc_sys().iso_with_zone, |
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cache_date=None, |
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weight=1, |
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compound_id=c_id, |
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origin_inchikey=c_origin, |
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matched_inchikey=c_matched, |
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compound_name=c_name, |
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predicate=predicate, |
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object_id=object_id, |
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object_name=object_name, |
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) |
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entry.update(kwargs) |
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clazz = self.__class__.get_h() |
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# noinspection PyArgumentList |
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return clazz(**entry) |
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def __repr__(self) -> str: |
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return ", ".join([k + "=" + str(v) for k, v in self.get_params().items()]) |
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def __str__(self) -> str: |
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return repr(self) |
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def __eq__(self, other: Search) -> bool: |
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""" |
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Returns True iff all of the parameters match, thereby excluding attributes with underscores. |
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Multiversal equality. |
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Raises: |
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TypeError: If ``other`` is not a :class:`Search` |
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""" |
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if not isinstance(other, Search): |
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raise XTypeError(f"{type(other)} not comparable") |
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return repr(self) == repr(other) |
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159
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__all__ = ["Search", "HitDf", "SearchError"] |
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dmyersturnbull /
mandos
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