def getMol(self, ccId):
try:
if not self.__oeMolD:
oeIo = OeIoUtils()
self.__oeMolD = oeIo.readOeBinaryMolCache(
os.path.join(self.__dirPath, self.__getOeMolFileName()))
logger.info("Loading OE binary molecule cache length %d",
len(self.__oeMolD))
return self.__oeMolD[ccId]
except Exception as e:
logger.exception("Get molecule %r failing with %s", ccId, str(e))
return None
def getOeMolD(self):
try:
if not self.__oeMolD:
startTime = time.time()
oeIo = OeIoUtils()
self.__oeMolD = oeIo.readOeBinaryMolCache(
os.path.join(self.__dirPath,
self.__getOeSearchMolFileName()))
logger.info(
"Loading OE binary molecule cache length %d (%.4f seconds)",
len(self.__oeMolD),
time.time() - startTime)
return self.__oeMolD
except Exception as e:
logger.exception("Failing with %s", str(e))
return None