Commit by shk3 :: r15379 /cdk-web/trunk/ (13 files in 7 dirs): (link)

the gibbs predictor now works

Commit by mark_rynbeek :: r15378 /jchempaint/trunk/ (7 files in 6 dirs): (link)

Minor fixes

Commit by aherraez :: r15377 /jchempaint/trunk/po/es.po: (link)

Spanish

Commit by Brian Gilman on master :: r8eacbfc / src/main/org/openscience/cdk/io/pubchemxml/PubChemXMLHelper.java : (link)

Updated to include the float and binary information found in PubChem

Signed-off-by: Egon Willighagen <egonw at users dot sourceforge dot net> - http://bit.ly/d82Z9g

Commit by mark_rynbeek :: r15376 /jchempaint/trunk/build.xml: (link)

restored a signjar line (got lost in comment)

Commit by annulen :: r15375 /jchempaint/trunk/src/main/org/openscience/jchempaint/renderer/generators/BasicBondGenerator.java: (link)

Build error fix

Commit by annulen :: r15374 /jchempaint/trunk/src/main/org/openscience/jchempaint/controller/ (IAtomBondEdits.java IChemModelRelay.java): (link)

Restored interfaces

Commit by annulen :: r15373 /jchempaint/trunk/src/main/org/openscience/jchempaint/controller/AddBondDragModule.java: (link)

Fixed grammar error

Commit by annulen :: r15372 /jchempaint/trunk/src/main/org/openscience/jchempaint/renderer/generators/BasicBondGenerator.java: (link)

Fixed build errors

Commit by shk3 :: r15371 /detgen/trunk/ (4 files in 2 dirs): (link)

generation can now start from fragments

Commit by Egon Willighagen on master :: r2710973 / build.xml : (link)

Merge branch 'cdk-1.2.x' - http://bit.ly/buxDmj

Commit by Mark Rynbeek on cdk-1.2.x :: r4398cc4 / build.xml : (link)

Ant has a release 1.8 that should be accepted in build.xml

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/bdCGqv

Commit by Mark Rynbeek on master :: r4398cc4 / build.xml : (link)

Ant has a release 1.8 that should be accepted in build.xml

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/bdCGqv

Commit by shk3 :: r15370 /detgen/trunk/ (8 files in 4 dirs): (link)

added test for C4O1H4, generates all results from molgen plus more

Commit by Egon Willighagen on master :: rc4b4c48 / build.props : (link)

Master is open for patches... - http://bit.ly/9KgStm

Commit by Egon Willighagen on master :: rf7cc552 / (build.props changelog.txt): (link)

Release 1.3.2 - http://bit.ly/dwEpY3

Commit by Egon Willighagen on master :: rfd81efc / src/main/org/openscience/cdk/io/MDLV2000Reader.java : (link)

Use the new error reporting IO API

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/cGsuCk

Commit by Egon Willighagen on master :: rea5f0b7 / (4 files in 2 dirs): (link)

Added a new IO API for reporting file format errors.

• introducing a IChemObjectReaderErrorHandler
• handleError() methods for IChemObjectReader's to report problems
• these handleErrors() method throw an CDKException when in STRICT mode
• line and column number support, useful for MDL V2000 molfile text editors in, e.g. Bioclipse Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://bit.ly/9nh1Lz

Commit by shk3 :: r15369 /detgen/trunk/ (. build.xml): (link)

better build.xml, added build to svnignore

Commit by shk3 :: r15368 /detgen/trunk/ (116 files in 8 dirs): (link)

Initial import.