Greg Landrum f5f3225b2e turn the big-molecule test back on

2012-06-30 04:50:09 +00:00

..

test_data

fix sf.net issue 2983794

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

Atom.cpp

all tests passing

2012-04-21 05:37:34 +00:00

Bond.cpp

very minor optimization in the smiles parser;

2012-03-28 07:06:44 +00:00

CMakeLists.txt

get windows build working

2012-01-04 05:12:19 +00:00

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

fix and test for issue 3510149

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

MolOps.cpp

the problem was actually on 32bit machines, not windows... update for that

2012-04-12 06:28:09 +00:00

MolSupplier.h

some supplier updates

2012-02-10 16:24:42 +00:00

Queries.cpp

remove exe property from source files

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

rdchem.cpp

remove exe property from source files

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

rdchem.h

update copyright statements

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

rdmolfiles.cpp

initial version of MolFragmentToSmiles

2012-05-19 03:50:31 +00:00

rdmolfiles.h

update copyright statements

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

rdmolops.cpp

remove exe property from source files

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

rdmolops.h

update copyright statements

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

RingInfo.cpp

update copyright statements

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

rough_test.py

turn the big-molecule test back on

2012-06-30 04:50:09 +00:00

SDMolSupplier.cpp

some supplier updates

2012-02-10 16:24:42 +00:00

SDWriter.cpp

update doc strings

2012-01-04 06:04:36 +00:00

seqs.hpp

remove exe property from source files

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

SmilesMolSupplier.cpp

remove exe property from source files

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

SmilesWriter.cpp

add TDT writer supporter

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

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