Greg Landrum 57cd641e50 in replaceCore: support labelling dummies with the index of the corresponding atom in the core

2008-11-06 09:10:38 +00:00

..

testData

add a test

2007-08-03 03:55:13 +00:00

ChemTransforms.cpp

in replaceCore: support labelling dummies with the index of the corresponding atom in the core

2008-11-06 09:10:38 +00:00

ChemTransforms.h

in replaceCore: support labelling dummies with the index of the corresponding atom in the core

2008-11-06 09:10:38 +00:00

Jamfile

further jamfile mods for macosx

2008-10-19 05:36:09 +00:00

test_list.py

merge back in changes from ChemTransforms (r30:51);

2006-09-15 16:44:38 +00:00

testChemTransforms.cpp

in replaceCore: support labelling dummies with the index of the corresponding atom in the core

2008-11-06 09:10:38 +00:00