Svn Log

Commit Date  
[r14407] by egonw

Typo (see bug #2596042)

2009-03-10 15:47:28 Tree
[r14406] by shk3

fixes bug #2679343

2009-03-10 15:36:50 Tree
[r14405] by gilleain

Minor patch to ensure that bond selections are drawn correctly in swing-jchempaint.

2009-03-10 15:28:30 Tree
[r14404] by shk3

added a test for bug #2679343

2009-03-10 15:28:16 Tree
[r14403] by gilleain

Fixes a compile error caused by api changes to IChemObjectSelection ported from bioclipse-cdk.

2009-03-10 15:27:01 Tree
[r14402] by shk3

added a test for bug #2679343

2009-03-10 15:26:46 Tree
[r14401] by goglepox

Ported from bioclipse: egonw Fixed drawing of naphtalenes by fixed chosing where to put the double bonds

2009-03-10 13:36:42 Tree
[r14400] by goglepox

Moved clear() form select(IAtomContainer) to select(IChemModel).
And made select(IAtomContainer) private as it dose not clear selection anylonger

2009-03-10 13:13:28 Tree
[r14399] by goglepox

Removed select(IAtomContainer) from interface

2009-03-10 13:12:41 Tree
[r14398] by goglepox

Draw selections for bonds

2009-03-10 13:11:58 Tree
[r14397] by goglepox

Ported from bioclipse: egonw Reset the isAromatic var when checking the bonds

2009-03-10 13:11:11 Tree
[r14396] by goglepox

Use default bond color

2009-03-10 13:10:37 Tree
[r14395] by goglepox

Only horizontal alignment for carbon

2009-03-10 13:09:52 Tree
[r14394] by goglepox

Set defaultBondColor to black

2009-03-10 13:08:57 Tree
[r14393] by shk3

activated tracking of implicit hydrogens, menu items work etc.

2009-03-10 12:01:35 Tree
[r14392] by shk3

added tracking of implicit hydrogens

2009-03-10 11:59:48 Tree
[r14391] by miguelrojasch

Removing @cdk.bug 2276507 from the javadoc. It is already closed

2009-03-10 08:52:27 Tree
[r14390] by miguelrojasch

Removing @cdk.bug tag 1944604 from the javadoc. It is already closed

2009-03-10 08:49:35 Tree
[r14389] by miguelrojasch

Removed cdk.bug tag fixed by Egonw

2009-03-10 08:46:09 Tree
[r14388] by rajarshi

Added support for amide bond output in the MOL2 writer. Also added unit test

2009-03-09 17:12:58 Tree
[r14387] by rajarshi

Fixed javadoc

2009-03-09 17:00:07 Tree
[r14386] by rajarshi

Updated unit tests to check MOL2 output for an aromatic molecule. Works fine now

2009-03-09 16:56:31 Tree
[r14385] by rajarshi

Updated sybyl atom type matcher so that it correctly performs the mapping from CDK atom type to sybyl atom type. The problem was that the mapping method took an IAtomType rather than IAtom - as a result it did not have aromaticity information and thus was unable to properly generate types.

2009-03-09 16:52:32 Tree
[r14384] by rajarshi

Updated Mol2Writer to address bug 2675188 so that atom symbols are included and atom/bond numbering starts from 1. Also fixed the bond order, though all the bond orders in the Tripos spec such as am are not yet supported. Also, the atom types are currently wrong. Added a unit test

2009-03-09 16:33:27 Tree
[r14383] by egonw

Fixed adding entry end lines

2009-03-09 16:03:22 Tree
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