User 2347372188
20-11-2014 18:00:26
Hello. I am unable to lookup features for many feature keys. It is my understanding that, for a given molecule, each feature ID should correspond to a ECFPFeature object. In particular, in the following code:
ECFPFeatureLookup lookup = new ECFPFeatureLookup();
ECFP ecfp = new ECFP(params);
ecfp.generate(mol);
int[] ints = ecfp.toIntArray();
lookup.processMolecule(mol);
for (Integer i = 0; i < ints.length; i++) {
Integer key = ints;
List<ECFPFeature> fs = lookup.getFeaturesFromIdentifier(key);
if (fs.size() == 0) {
log.debug("DID NOT FIND FEATURES FOR KEY: " + key);
}
}
I should never see the message "DID NOT FIND FEATURES FOR KEY: ". However, I see it quite often (which causes an Exception later on in my code). Please let me know if this is a bug or if I'm doing something wrong. Thanks.
-&