Greg Landrum 4d4b5f6a28 Fix for github874 (#877) ...

* Fixes #874

* minor cleanup

* test for 874

2016-05-16 15:00:22 +02:00

..

testData

forgot to add the test files

2016-03-15 02:51:20 -07:00

testExecs

initial import

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

AtomPairs.cpp

fix a really stupid bug with the fix for #811

2016-03-22 19:04:48 +01:00

AtomPairs.h

first pass, using google style

2015-11-14 14:58:11 +01:00

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

RDKFingerprint: add an unfolded count-based version of the RDKFingerprint

2016-04-01 09:10:47 +02:00

Fingerprints.h

RDKFingerprint: add an unfolded count-based version of the RDKFingerprint

2016-04-01 09:10:47 +02:00

MACCS.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

MACCS.h

first pass, using google style

2015-11-14 14:58:11 +01:00

MorganFingerprints.cpp

Fix for github874 (#877)

2016-05-16 15:00:22 +02:00

MorganFingerprints.h

first pass, using google style

2015-11-14 14:58:11 +01:00

PatternFingerprints.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

test1.cpp

Fix for github874 (#877)

2016-05-16 15:00:22 +02:00

test_list.py

now all tests pass here as well

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