Greg Landrum 3ddb54aeef Fix #1496 (#1517) ...

* switch from using `[D0]` to `[*]` to ensure single atom fragments are correctly handled in the pattern fingerprint;
Fixes #1496

* update expected reaction similarity results

2017-08-15 13:00:30 -04:00

..

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

clear up a bunch of windows warnings (#1086)

2016-10-04 06:46:07 -04:00

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

clear up a bunch of windows warnings (#1086)

2016-10-04 06:46:07 -04:00

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)

2016-04-23 11:53:13 -04:00

MorganFingerprints.h

first pass, using google style

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

PatternFingerprints.cpp

Fix #1496 (#1517)

2017-08-15 13:00:30 -04:00

test1.cpp

Fix #1496 (#1517)

2017-08-15 13:00:30 -04:00

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00