Hi All,
I've now got an issue with reading in fingerprints (now that you've helped me
write them), I've tried a number of different ways. Currently I've got the
fingerprints as a string made up of bits, i.e. "000001000000000000…", although
I also had a crack with pickle strings. I think it's a similar issue as I had
before, getting to grips with the ptr vs structure but the code I got to
compile is,
ExplicitBitVect *fp;
getline(fileNam, bit);
fp= new ExplicitBitVect(bit);
The error I get is,
terminate called throwing an exceptionAbort trap: 6
It's contained by InitFromString which I can find an example of in the RDKit
source, but I can't find one for this.
Thanks in advance,
Best,
Nick
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