Greg Landrum 3c24365856 allow _Names to be left out of Smiles writer output (sf.net feature request 2039278)

2008-08-12 19:25:38 +00:00

..

test_data

fix and test issue 1965035

2008-05-16 05:35:50 +00:00

testExecs

initial import

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

FileParsers.h

- Expand availability of the protrude distance measure.

2007-08-11 16:22:42 +00:00

Jamfile

mostly working under linux... iterate back to windows

2008-02-13 05:36:48 +00:00

mol1.cdxml

initial import

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

mol.py

initial import

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

MolFileParser.cpp

cleanups

2008-05-16 13:18:44 +00:00

MolFileStereochem.cpp

fix and test issue 1965035

2008-05-16 05:35:50 +00:00

MolFileStereochem.h

merge the changes from the CanonicalizerRework30Nov branch in.

2008-01-30 14:53:04 +00:00

MolFileWriter.cpp

additional tests for sf.net bug 1934360.

2008-04-12 13:48:46 +00:00

MolSupplier.h

support taking streams in ctors for suppliers

2008-07-07 05:29:54 +00:00

MolWriters.h

allow _Names to be left out of Smiles writer output (sf.net feature request 2039278)

2008-08-12 19:25:38 +00:00

SDFileParser.cpp

- Expand availability of the protrude distance measure.

2007-08-11 16:22:42 +00:00

SDMolSupplier.cpp

update the chirality from 3d stuff a bit and expose it to python; fix a reporting error in SDMolSupplier

2008-07-09 15:43:04 +00:00

SDWriter.cpp

Modify suppliers and parsers so that they don't throw

2008-04-09 03:33:49 +00:00

SmilesMolSupplier.cpp

support taking streams in ctors for suppliers

2008-07-07 05:29:54 +00:00

SmilesWriter.cpp

allow _Names to be left out of Smiles writer output (sf.net feature request 2039278)

2008-08-12 19:25:38 +00:00

TDTMolSupplier.cpp

support taking streams in ctors for suppliers

2008-07-07 05:29:54 +00:00

TDTWriter.cpp

Modify suppliers and parsers so that they don't throw

2008-04-09 03:33:49 +00:00

test1.cpp

fix and test issue 1965035

2008-05-16 05:35:50 +00:00

test_list.py

TPL reading is now getting close to being done

2007-03-03 06:38:03 +00:00

testMolSupplier.cpp

get this working under windows

2008-07-12 05:29:35 +00:00

testMolWriter.cpp

allow _Names to be left out of Smiles writer output (sf.net feature request 2039278)

2008-08-12 19:25:38 +00:00

testTpls.cpp

further work on the TPL reader/writer

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

TplFileParser.cpp

Modify suppliers and parsers so that they don't throw

2008-04-09 03:33:49 +00:00

TplFileWriter.cpp

Modify suppliers and parsers so that they don't throw

2008-04-09 03:33:49 +00:00