Greg Landrum 547f71ec7c further work on the TPL reader/writer

2007-03-04 16:22:11 +00:00

..

test_data

initial import

2006-05-06 22:20:08 +00:00

Atom.cpp

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

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

Bond.cpp

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

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

Conformer.cpp

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

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

Mol.cpp

add support for chirality in substructure searches;

2006-11-03 06:35:14 +00:00

MolOps.cpp

SDMolSupplier: don't throw on errors parsing molecules. This allows the parsing of further mols to continue.

2006-09-18 05:21:39 +00:00

MolSupplier.h

initial import

2006-05-06 22:20:08 +00:00

Queries.cpp

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

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

rdchem.cpp

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

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

rdchem.h

initial import

2006-05-06 22:20:08 +00:00

rdmolfiles.cpp

further work on the TPL reader/writer

2007-03-04 16:22:11 +00:00

rdmolfiles.h

initial import

2006-05-06 22:20:08 +00:00

rdmolops.cpp

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

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

rdmolops.h

initial import

2006-05-06 22:20:08 +00:00

rough_test.py

further work on the TPL reader/writer

2007-03-04 16:22:11 +00:00

SDMolSupplier.cpp

add _SetStreamIndices() to SDMolSupplier

2006-10-24 04:08:07 +00:00

SDWriter.cpp

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

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

seqs.hpp

initial import

2006-05-06 22:20:08 +00:00

setup.py

fixes to get things working on linux using ChemTransforms

2006-09-23 05:32:47 +00:00

SmilesMolSupplier.cpp

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

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

SmilesWriter.cpp

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

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

Table.cpp

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

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

TDTMolSupplier.cpp

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

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

TDTWriter.cpp

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

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

test_list.py

initial import

2006-05-06 22:20:08 +00:00

test.py

initial import

2006-05-06 22:20:08 +00:00

testConformer.py

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

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

UnitTestWrap.py

initial import

2006-05-06 22:20:08 +00:00

wrapGraphMol.vcproj

primarily project file changes to make things work

2007-01-15 20:30:01 +00:00

wrapMolFiles.vcproj

primarily project file changes to make things work

2007-01-15 20:30:01 +00:00

wrapMolOps.vcproj

primarily project file changes to make things work

2007-01-15 20:30:01 +00:00