Greg Landrum 2805355f34 First pass at the rewrite: ...

this gets rid of all the "preceding atom" code and passes all tests on linux

builds on other OS's and more extensive regression testing is required

2010-05-31 14:08:11 +00:00

..

testData

add a test

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

ChemTransforms.cpp

First pass at the rewrite:

2010-05-31 14:08:11 +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

CMakeLists.txt

builds on windows with visual studio; need to pass back to linux now

2009-10-01 13:35:48 +00:00

Jamfile

remove vflib from Jamfiles

2009-06-29 11:47:38 +00:00

test_list.py

now all tests pass here as well

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

testChemTransforms.cpp

builds and passes tests on linux

2009-09-28 11:02:18 +00:00