Commit Graph

10 Commits

Author SHA1 Message Date
Greg Landrum
2d78b7f710 FPB Reader documentation update 2016-04-12 06:21:18 +02:00
Greg Landrum
249146afaa Dev/containing nbrs in python
* expose GetContainingNeighbors() to python

* add another contains test from python
2016-04-11 13:09:18 -04:00
Greg Landrum
6e6c200bd3 add Tversky code to the python wrapper 2016-01-18 10:57:48 +01:00
Greg Landrum
6b06bccf3f clean up the uses of casts in the new code 2016-01-12 12:09:56 +01:00
Greg Landrum
606ae353ca stop reading in all Ids when in lazy mode 2016-01-12 12:09:56 +01:00
Greg Landrum
5af208a1e4 add a lazy mode that does not need to read in the whole database 2016-01-12 12:09:54 +01:00
Greg Landrum
9ae728ef5c remove the topN arg since it isn't being used and won't save time anyway 2016-01-12 12:09:54 +01:00
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
08ce5a287d crude initial python wrapper 2016-01-12 12:09:54 +01:00