Greg Landrum 14e396c26d refactoring the SMILES parser to make it more efficient ...

NOTE: this changes the ordering of bonds in molecules with branches.

2012-08-28 04:01:49 +00:00

..

AromaticTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

AtomPairsTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

AvalonLibTests.java

initial addition of avalontoolkit support

2011-12-23 06:17:39 +00:00

BasicMolecule2Tests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

BasicMoleculeTests.java

another test

2012-02-26 10:17:07 +00:00

ChemAtomTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ChemBondTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ChemReactionTests.java

at this point all tests pass

2012-04-21 06:01:14 +00:00

ChemSmartsTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ChemTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

Chemv2Tests.java

fix and test issue 3525000

2012-05-09 13:13:46 +00:00

ConformerTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

DescriptorTests.java

clean up + add support for D and T in molecular formula

2012-07-27 06:16:45 +00:00

DistanceGeometryTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ErrorHandlingTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

FingerprintsTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ForceFieldsTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

GraphMolTest.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

GraphMolTestSuite.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

HManipulationsTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

InchiTests.java

initial addition of avalontoolkit support

2011-12-23 06:17:39 +00:00

LipinskiTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

MemoryTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

PicklingTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

SmilesCreationTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

SmilesDetailsTests.java

refactoring the SMILES parser to make it more efficient

2012-08-28 04:01:49 +00:00

SmilesTests.java

add support for replacements in smiles and smarts.

2011-07-07 05:45:31 +00:00

SuppliersTests.java

fix and test issue 3524949

2012-05-09 03:19:30 +00:00

WrapperTests.java

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00