Greg Landrum 60a68669da remove more clang warnings

2013-12-02 04:46:46 +01:00

..

testExecs

initial import

2006-05-06 22:20:08 +00:00

AtomPairs.cpp

remove another clang warning

2013-11-06 05:03:07 +01:00

AtomPairs.h

add support for including chirality in the AtomPairs and TopologicalTorsions descriptors

2013-04-07 23:39:30 +00:00

CMakeLists.txt

rename layered fingerprint2 -> pattern fingerprint

2013-03-28 09:44:33 +00:00

Fingerprints.cpp

remove more clang warnings

2013-12-02 04:46:46 +01:00

Fingerprints.h

rename layered fingerprint2 -> pattern fingerprint

2013-03-28 09:44:33 +00:00

MACCS.cpp

change MACCS pattern 20 to match all Si atoms

2013-02-12 05:03:52 +00:00

MACCS.h

somewhat optimized version from Roger.

2013-02-10 04:18:19 +00:00

MorganFingerprints.cpp

fix an oversight: add getHashedMorganFingerprint

2012-07-02 07:03:55 +00:00

MorganFingerprints.h

fix an oversight: add getHashedMorganFingerprint

2012-07-02 07:03:55 +00:00

PatternFingerprints.cpp

switch to fastFindRings for pattern fingerprinter

2013-11-15 06:50:20 +01:00

test1.cpp

Fixes #151

2013-11-10 06:50:10 +01:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00