Greg Landrum be39e8198f allow Dicts to convert from string or char * to numeric types; ...

this is the fix for issue288

2013-02-04 04:51:51 +00:00

..

test_data

fix sf.net issue 2983794

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

Atom.cpp

add ClearProp() method to atoms and bonds; modify Mol.ClearProp() so that it no longer raises an exception when the property is not there

2012-12-01 06:28:00 +00:00

Bond.cpp

add ClearProp() method to atoms and bonds; modify Mol.ClearProp() so that it no longer raises an exception when the property is not there

2012-12-01 06:28:00 +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

add ClearProp() method to atoms and bonds; modify Mol.ClearProp() so that it no longer raises an exception when the property is not there

2012-12-01 06:28:00 +00:00

MolOps.cpp

expose fragmentOnBRICS bonds to python

2013-01-31 04:55:05 +00:00

MolSupplier.h

another typo

2012-07-27 06:42:19 +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

make sure that a nonzero atom list is passed to MolFragmentToSmiles

2012-09-27 17:50:35 +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

allow Dicts to convert from string or char * to numeric types;

2013-02-04 04:51:51 +00:00

SDMolSupplier.cpp

some supplier updates

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

SDWriter.cpp

docs fix

2012-12-31 11:57:43 +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