Greg Landrum 91eb4fd6bd Get this building with RDK_THREADSAFE_SSS OFF ...

@NadineSchneider actually found this, but she delegated committing the fix to me. ;-)

2016-06-22 16:50:22 +02:00

..

test_data

Fixes #351

2014-10-14 01:20:42 +02:00

Wrap

rename the python method "annotateProperties" to "AnnotateProperties"

2016-06-22 08:28:53 +02:00

CMakeLists.txt

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

ConnectivityDescriptors.cpp

first pass, using google style

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

ConnectivityDescriptors.h

first pass, using google style

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

Crippen.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Crippen.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Lipinski.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

Lipinski.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolDescriptors.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolDescriptors.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

MolSurf.cpp

first pass, using google style

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

MolSurf.h

first pass, using google style

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

MQN.cpp

first pass, using google style

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

MQN.h

first pass, using google style

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

Property.cpp

Get this building with RDK_THREADSAFE_SSS OFF

2016-06-22 16:50:22 +02:00

Property.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

RegisterDescriptor.h

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00

test_list.py

now all tests pass here as well

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

test.cpp

Dev/moldescriptors callables (#944)

2016-06-22 08:07:56 +02:00