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7 Commits

Author SHA1 Message Date
Greg Landrum
50e925a478 further lessening of memory management stupidity 2016-01-12 12:09:54 +01:00
Greg Landrum
8722043df8 add nBits() method 
add getTanimotoNeighbors() method
 2016-01-12 12:09:54 +01:00
Greg Landrum
2e9063964e add getBytes(), test tanimoto 2016-01-12 12:09:53 +01:00
Greg Landrum
ca8ef113d4 parse popcounts and make them accessible 2016-01-12 12:09:53 +01:00
Greg Landrum
3813e9c802 we can now also read IDs 2016-01-12 12:09:53 +01:00
Greg Landrum
d17f4ca8f1 fingerprints are now properly read in 2016-01-12 12:09:53 +01:00
Greg Landrum
773f6b0432 backup 2016-01-12 12:09:53 +01:00