Greg Landrum deed4a9acf Merge branch 'Issue194_V3000MolWriter' ...

Conflicts:
	Code/GraphMol/Chirality.cpp
	Code/GraphMol/FileParsers/test1.cpp

2014-01-22 07:07:27 +01:00

..

test_data

fix sf.net issue 2983794

2010-04-08 13:39:40 +00:00

Atom.cpp

initial batch of decent QueryAtom support for python;

2013-12-17 05:55:18 +01:00

Bond.cpp

Fixes #48

2013-06-10 05:54:07 +02:00

CMakeLists.txt

initial batch of decent QueryAtom support for python;

2013-12-17 05:55:18 +01:00

CompressedSDMolSupplier.cpp

this should fix issue 3475053

2012-01-27 10:16:31 +00:00

Conformer.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

EditableMol.cpp

fix and test for issue 3510149

2012-03-23 04:47:22 +00:00

ForwardSDMolSupplier.cpp

remove x bit

2012-04-14 04:01:08 +00:00

Mol.cpp

initial batch of decent QueryAtom support for python;

2013-12-17 05:55:18 +01:00

MolOps.cpp

Fixes #171

2013-12-06 06:54:31 +01:00

MolSupplier.h

another typo

2012-07-27 06:42:19 +00:00

MonomerInfo.cpp

changes suggested by Roger S:

2013-10-08 05:49:54 +02:00

PDBWriter.cpp

add PDBWriter to python wrapper

2013-09-30 04:44:09 +02:00

Queries.cpp

more query atom expansions for Issue #183

2013-12-19 05:33:17 +01:00

rdchem.cpp

Progress towards #181

2013-12-14 15:45:45 +01:00

rdchem.h

update copyright statements

2010-09-26 17:04:37 +00:00

rdmolfiles.cpp

Merge branch 'Issue194_V3000MolWriter'

2014-01-22 07:07:27 +01:00

rdmolfiles.h

update copyright statements

2010-09-26 17:04:37 +00:00

rdmolops.cpp

initial batch of decent QueryAtom support for python;

2013-12-17 05:55:18 +01:00

rdmolops.h

update copyright statements

2010-09-26 17:04:37 +00:00

rdqueries.cpp

initial batch of decent QueryAtom support for python;

2013-12-17 05:55:18 +01:00

RingInfo.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

rough_test.py

Fixes #179

2013-12-30 09:02:43 +01:00

SDMolSupplier.cpp

fix and test GitHub issue 19

2013-04-21 05:22:57 +00:00

SDWriter.cpp

support forcing V3000 writing and kekulization in the SDWriter

2013-12-30 06:58:48 +01:00

seqs.hpp

Progress towards #181

2013-12-14 15:45:45 +01:00

SmilesMolSupplier.cpp

remove exe property from source files

2011-01-13 04:22:56 +00:00

SmilesWriter.cpp

docs clarification

2013-12-13 05:00:50 +01:00

Table.cpp

remove exe property from source files

2011-01-13 04:22:56 +00:00

TDTMolSupplier.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

TDTWriter.cpp

add TDT writer supporter

2011-12-03 04:35:15 +00:00

test_list.py

now all tests pass here as well

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

testConformer.py

now all tests pass here as well

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