Greg Landrum 3c69983aa2 remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems

2009-10-30 09:30:27 +00:00

..

testExecs

initial import

2006-05-06 22:20:08 +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 lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems

2009-10-30 09:30:27 +00:00

Subgraphs.cpp

This is a sizeable one: change the way BGL is used so that atoms and bonds are stored as bundled properties

2009-02-11 20:19:25 +00:00

Subgraphs.h

add an alternate approach for hashing fingerprints

2008-04-08 16:06:25 +00:00

SubgraphUtils.cpp

remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems

2009-10-30 09:30:27 +00:00

SubgraphUtils.h

remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems

2009-10-30 09:30:27 +00:00

test1.cpp

remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems

2009-10-30 09:30:27 +00:00

test2.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

test_list.py

now all tests pass here as well

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