Greg Landrum 7fdac1f3a4 Fixes #295

2014-08-11 15:34:02 +02:00

..

testData

Fixes #251

2014-04-21 06:28:39 +02:00

testExecs

initial import

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

AtomPairs.cpp

code cleanup: removing compiler warnings

2014-05-08 06:06:07 +02:00

AtomPairs.h

Fixes #251

2014-04-21 06:28:39 +02:00

CMakeLists.txt

test multi-threaded use of the pattern fingerprint; this passes on the mac, but I am skeptical about it

2014-04-28 11:53:43 +02:00

Fingerprints.cpp

fix a typo causing problems with older vc++ versions

2014-02-06 04:58:54 +01:00

Fingerprints.h

rename layered fingerprint2 -> pattern fingerprint

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

MACCS.cpp

Fixes #195

2014-01-16 01:52:58 -05:00

MACCS.h

somewhat optimized version from Roger.

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

MorganFingerprints.cpp

Fixes #295

2014-08-11 15:34:02 +02:00

MorganFingerprints.h

option useCounts for Morgan fingerprints updated

2014-03-28 08:58:21 +01:00

PatternFingerprints.cpp

use boost::flyweight to ensure thread-safe construction of the pattern fingerprint queries

2014-05-08 04:27:06 +02:00

test1.cpp

Fixes #295

2014-08-11 15:34:02 +02:00

test_list.py

now all tests pass here as well

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