def __reload(self):
ccsw = ChemCompSearchWrapper(cachePath=self.__cachePath)
ok1 = ccsw.setConfig(
self.__ccUrlTarget, self.__birdUrlTarget, ccFileNamePrefix=self.__ccFileNamePrefix, useCache=self.__useCache, numProc=self.__numProc, maxChunkSize=self.__chunkSize
)
ok2 = ccsw.readConfig()
ok3 = ccsw.reloadSearchDatabase()
return ccsw if ok1 and ok2 and ok3 else None
def testAABuildConfiguration(self):
"""Test case - build configuration -"""
try:
ccsw = ChemCompSearchWrapper()
ccUrlTarget = os.path.join(
self.__dataPath,
"components-abbrev.cif") if not self.__testFlagFull else None
birdUrlTarget = os.path.join(
self.__dataPath,
"prdcc-abbrev.cif") if not self.__testFlagFull else None
ok = ccsw.setConfig(ccUrlTarget=ccUrlTarget,
birdUrlTarget=birdUrlTarget)
self.assertTrue(ok)
except Exception as e:
logger.exception("Failing with %s", str(e))
self.fail()
def buildConfiguration(self, ccUrlTarget=None, birdUrlTarget=None):
"""Build bootstrap configuration files"""
try:
configFlagFull = self.__ccFileNamePrefix == "cc-full"
logger.info("Update configuration for prefix %r configFlagFull %r",
self.__ccFileNamePrefix, configFlagFull)
logger.info("Data source cc %r bird %r", ccUrlTarget,
birdUrlTarget)
ccsw = ChemCompSearchWrapper(
cachePath=self.__cachePath,
ccFileNamePrefix=self.__ccFileNamePrefix)
ok1 = ccsw.setConfig(ccUrlTarget=ccUrlTarget,
birdUrlTarget=birdUrlTarget)
ccdw = ChemCompDepictWrapper()
ok2 = ccdw.setConfig(self.__cachePath)
return ok1 and ok2
except Exception as e:
logger.exception("Failing with %s", str(e))
return False