Greg Landrum 55e2f7c821 document a magic constant

2016-02-15 15:02:54 +01:00

..

test_data

Fixes #741

2016-02-13 05:38:03 +01:00

testExecs

initial import

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

CMakeLists.txt

rename some files

2015-09-09 10:29:19 +02:00

FileParsers.h

first pass, using google style

2015-11-14 14:58:11 +01:00

FileParserUtils.h

first pass, using google style

2015-11-14 14:58:11 +01:00

ForwardSDMolSupplier.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

mol1.cdxml

initial import

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

Mol2FileParser.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

mol.py

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

MolFileParser.cpp

Fixes #741

2016-02-13 05:38:03 +01:00

MolFileStereochem.cpp

document a magic constant

2016-02-15 15:02:54 +01:00

MolFileStereochem.h

first pass, using google style

2015-11-14 14:58:11 +01:00

MolFileWriter.cpp

Protect Locales in Mol and PDB writer

2016-01-20 17:09:58 -05:00

MolSupplier.h

first pass, using google style

2015-11-14 14:58:11 +01:00

MolWriters.h

first pass, using google style

2015-11-14 14:58:11 +01:00

PDBParser.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

PDBSupplier.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

PDBWriter.cpp

Protect Locales in Mol and PDB writer

2016-01-20 17:09:58 -05:00

ProximityBonds.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

ProximityBonds.h

first pass, using google style

2015-11-14 14:58:11 +01:00

SDMolSupplier.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

SDWriter.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

SequenceParsers.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

SequenceParsers.h

first pass, using google style

2015-11-14 14:58:11 +01:00

SequenceWriters.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

SequenceWriters.h

first pass, using google style

2015-11-14 14:58:11 +01:00

SmilesMolSupplier.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

SmilesWriter.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

TDTMolSupplier.cpp

first pass, using google style

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TDTWriter.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

test1.cpp

Prefer wedging bonds to Hs when possible

2016-02-15 14:32:30 +01:00

test_list.py

now all tests pass here as well

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

testMol2ToMol.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

testMolSupplier.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

testMolWriter.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

testSequence.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

testTpls.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

TplFileParser.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

TplFileWriter.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00