Chemistry Development Kit

Return a default array instead of null, fixing NullPointerExceptions caused... - http://cia.vc/stats...

22 hours ago from cdk - Comment - Like - Share

Updated to not use IMolecule (+77 more commits...) - http://git.io/APrNxQ - http://cia.vc/stats...

23 hours ago from cdk - Comment - Like - Share

Added reading of the single electron counts for the CDK atom types (+5 more... - http://cia.vc/stats...

24 hours ago from cdk - Comment - Like - Share

Open for more bug fixing - http://git.io/prjuog - http://cia.vc/stats...

24 hours ago from cdk - Comment - Like - Share

Bumped version, preparing for the 1.4.10 release - http://git.io/-kWKpw - http://cia.vc/stats...

yesterday from cdk - Comment - Like - Share

Class to fix bond orders for aromatic rings - http://git.io/N0uNFg - http://cia.vc/stats...

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Added the tool to the smiles module, and the tests to the module's test suite -... - http://cia.vc/stats...

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Added reading of the single electron counts for the CDK atom types -... - http://cia.vc/stats...

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Any JUnit version is fine (+75 more commits...) - http://git.io/FCiB8A - http://cia.vc/stats...

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Merge branch 'fix' into cdk-1.4.x - http://git.io/w-35kw - http://cia.vc/stats...

Friday from cdk - Comment - Like - Share

Set the electron counts when a bond order is set - http://git.io/6gkZxw - http://cia.vc/stats...

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Added testing in the abstract test class for general pattern that... - http://cia.vc/stats...

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It turns out that Java creates an inner class for switch blocks, for which we do... - http://cia.vc/stats...

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Added a unit test that sets electron counts when a bond order is set -... - http://cia.vc/stats...

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Two more missing test classes, and missing annotation in ArrowElement -... - http://cia.vc/stats...

Friday from cdk - Comment - Like - Share

Patch for @cdk.bug 3523247 - http://git.io/zLQEug - http://cia.vc/stats...

Friday from cdk - Comment - Like - Share

3527017 - Fixed test in the bond construction, for bug 3526870 - http://sourceforge.net/tracker...

May 15 from SourceForge.net tracker:... - Comment - Like - Share

Fixed test in the bond construction, for bug 3526870

Also the last parameter must be an IAtom - http://git.io/h_76Lg - http://cia.vc/stats...

May 15 from cdk - Comment - Like - Share

Fixes the code to actually test the second parameter, instead of the first one... - http://cia.vc/stats...

May 15 from cdk - Comment - Like - Share

Unit test: passing an incorrect second new Bond(IAtom, IAtom) should throw an... - http://cia.vc/stats...

May 15 from cdk - Comment - Like - Share

3526870 - IChemObjectBuilder implementation issues - http://sourceforge.net/tracker...

May 15 from SourceForge.net tracker:... - Comment - Like - Share

3526295 - ModelBuilder3D bug - bad N atom type in rings with NC=O atom - http://sourceforge.net/tracker...

May 13 from SourceForge.net tracker:... - Comment - Like - Share

3526294 - ModelBuilder3D bug - N=0 and NC=0 bond length missing - http://sourceforge.net/tracker...

May 13 from SourceForge.net tracker:... - Comment - Like - Share

Fixed up the name to make it work here (+12 more commits...) -... - http://cia.vc/stats...

May 10 from cdk - Comment - Like - Share

3525144 - ModelBuilder3D bug - incorrect MMFF94 N atom type - http://sourceforge.net/tracker...

May 9 from SourceForge.net tracker:... - Comment - Like - Share

3525096 - ModelBuilder3D bug - incorrect MMFF94 S and N atom types - http://sourceforge.net/tracker...

May 9 from SourceForge.net tracker:... - Comment - Like - Share

3524734 - ModelBuilder3D bug - incorrect MMFF94 NO_2 atom type - http://sourceforge.net/tracker...

May 8 from SourceForge.net tracker:... - Comment - Like - Share

3524728 - Fixes reading of single electron atom type information - http://sourceforge.net/tracker...

May 8 from SourceForge.net tracker:... - Comment - Like - Share

Fixes reading of single electron atom type information

3524660 - Patch for @cdk.bug 3523247 in ModelBuilder3D - http://sourceforge.net/tracker...

May 8 from SourceForge.net tracker:... - Comment - Like - Share

Patch for @cdk.bug 3523247 in ModelBuilder3D

3524340 - Patch for @cdk.bug 3524092 and 3524093 in ModelBuilder3D - http://sourceforge.net/tracker...

May 7 from SourceForge.net tracker:... - Comment - Like - Share

Patch for @cdk.bug 3524092 and 3524093 in ModelBuilder3D