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from dataclasses import dataclass |
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from typing import Sequence |
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from mandos.model.apis.g2p_data import G2pData, G2pInteraction |
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from mandos.search.g2p import G2pSearch, G2pHit |
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@dataclass(frozen=True, order=True, repr=True) |
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class G2pInteractionHit(G2pHit): |
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""" """ |
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action: str |
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selective: str |
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primary: str |
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endogenous: str |
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species: str |
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affinity: float |
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measurement: str |
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class G2pInteractionSearch(G2pSearch[G2pInteractionHit]): |
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""" """ |
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@property |
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def data_source(self) -> str: |
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return "G2P :: interactions" |
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def find(self, inchikey: str) -> Sequence[G2pInteractionHit]: |
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ligand = self.api.fetch(inchikey) |
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results = [] |
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for inter in ligand.interactions: |
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results.append(self.process(inchikey, ligand, inter)) |
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return results |
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def process(self, inchikey: str, ligand: G2pData, inter: G2pInteraction) -> G2pInteractionHit: |
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return self._create_hit( |
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c_origin=inchikey, |
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c_matched=ligand.inchikey, |
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c_id=str(ligand.g2pid), |
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c_name=ligand.name, |
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predicate=f"interaction:{inter.action}", |
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statement=f"{inter.action} at", |
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object_id=inter.target_id, |
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object_name=inter.target, |
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action=inter.action, |
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affinity=inter.affinity_median, |
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measurement=inter.affinity_units, |
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species=inter.target_species, |
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primary=str(inter.primary_target), |
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selective=str(inter.selectivity), |
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endogenous=str(inter.endogenous), |
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) |
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__all__ = ["G2pInteractionHit", "G2pInteractionSearch"] |
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dmyersturnbull /
mandos
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