for testing and deploying your application
for finding and fixing issues
for empowering human code reviews
"""
PubChem querying API.
from __future__ import annotations
import abc
import logging
from typing import Optional, Union, FrozenSet
from mandos.model import CompoundNotFoundError
from mandos.model.pubchem_support.pubchem_data import PubchemData
logger = logging.getLogger("mandos")
class PubchemCompoundLookupError(CompoundNotFoundError):
""""""
class PubchemApi(metaclass=abc.ABCMeta):
def fetch_data_from_cid(self, cid: int) -> Optional[PubchemData]:
# separated from fetch_data to make it completely clear what an int value means
# noinspection PyTypeChecker
return self.fetch_data(cid)
def fetch_data(self, inchikey: str) -> Optional[PubchemData]:
raise NotImplementedError()
def find_similar_compounds(self, inchi: Union[int, str], min_tc: float) -> FrozenSet[int]:
__all__ = ["PubchemApi", "PubchemCompoundLookupError"]
dmyersturnbull /
mandos
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