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from dataclasses import dataclass
from typing import Sequence, Optional
from mandos.search.pubchem import PubchemHit, PubchemSearch
@dataclass(frozen=True, order=True, repr=True)
class CtdGeneHit(PubchemHit):
""""""
taxon_id: Optional[int]
taxon_name: Optional[str]
class CtdGeneSearch(PubchemSearch[CtdGeneHit]):
@property
def data_source(self) -> str:
return "Comparative Toxicogenomics Database (CTD)"
def find(self, inchikey: str) -> Sequence[CtdGeneHit]:
data = self.api.fetch_data(inchikey)
return [
CtdGeneHit(
record_id=None,
origin_inchikey=inchikey,
matched_inchikey=data.names_and_identifiers.inchikey,
compound_id=str(data.cid),
compound_name=data.name,
predicate="gene interaction",
object_id=dd.gene_name,
object_name=dd.gene_name,
search_key=self.key,
search_class=self.search_class,
data_source=self.data_source,
taxon_id=dd.tax_id,
taxon_name=dd.tax_name,
)
for dd in data.biomolecular_interactions_and_pathways.compound_gene_interactions
]
__all__ = ["CtdGeneHit", "CtdGeneSearch"]
dmyersturnbull /
mandos
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