def get_compound(self, compound_id):
if compound_id not in self.compound_dict:
logging.debug('Cache miss: %s' % str(compound_id))
inchi = self.compound_id2inchi[compound_id]
comp = Compound.from_inchi('KEGG', compound_id, inchi)
self.add(comp)
logging.debug('Cache hit: %s' % str(compound_id))
return self.compound_dict[compound_id]
def get_compound(self, compound_id):
if compound_id not in self.compound_dict:
logging.debug('Cache miss: %s' % str(compound_id))
inchi = self.compound_id2inchi[compound_id]
comp = Compound.from_inchi('KEGG', compound_id, inchi)
self.add(comp)
logging.debug('Cache hit: %s' % str(compound_id))
return self.compound_dict[compound_id]
def get_compound(self, compound_id, kegg_additions_cids=None):
if compound_id not in self.compound_dict:
logging.debug('Cache miss: %s' % str(compound_id))
inchi = self.compound_id2inchi[compound_id]
comp = Compound.from_inchi('KEGG', compound_id, inchi)
self.add(comp)
#if a compound id is in the kegg_additions.tsv
#remove the one in cache, and replace it with new one
else:
if kegg_additions_cids is not None:
if compound_id in kegg_additions_cids:
self.remove(compound_id)
logging.debug('Cache update: %s' % str(compound_id))
inchi = self.compound_id2inchi[compound_id]
comp = Compound.from_inchi('KEGG', compound_id, inchi)
self.add(comp)
logging.debug('Cache hit: %s' % str(compound_id))
return self.compound_dict[compound_id]
def parse_novel_molecule(add_info):
result = {}
for cid, InChI in add_info.items():
c = Compound.from_inchi('Test', cid, InChI)
result[cid] = c
return result
