I just released CDK 1.2.1 (aka The CDK Workshop 2009 Release), which is now available for\ndownload from SourceForge.\nThe source can be found in our Git repository.\nThe changes since 1.2.0 are mostly bug fixing, new unit tests, and minor clean up here and there:
\n\nFixed bug 2714283, which properly throws an exception when rings are not closed properly. If a ring is not closed with the appropriate ring number, InvalidSmilesException is thrown. Matches Daylight behavior\nFixed bug 2729120 and added unit test\nUpdated comment to fix bug 2768643.\nPartial fix for bug 2719237. Made getBondOrderSum static, added unit test for it\nTypo: proteinl -> protein\nMade class public, to unbreak adding it to the build/*.javafiles\nPartially fixed SMARTS matching for R0. Updated target molecule initialization to explicitly indicate atoms not in a ring and also updated RingMembership atom to do an explicit check when R0 is specified. Partially fixes bug 2587204\nFixed dubious equality test. A private method was checking Double objects via reference. Worked fine when they were null. Fails when we need to compare by value. Code is updated to take it into account. Added unit test (and made the method protected so that it can be tested)\nAdded test method annotation. Completes coverage for data module\nRefactored ChiIndexUtils to make it package private. Cleans up public API, since it is only used by chi descriptor code. Updated all dependent classes. Moved test code (which needs to be filled in!) as well\nCode cleanup of ChiIndexUtils. Converted to 1.5 idioms\nClean up of PathTools and added test method annotation, so that core is completely covered\nFixed the previous commit to edit the cdk.keyword line, not the cdk.module line\nMore consistent keywords used\nAdded a test to ensure that Integer objects are compared by value rather than reference\nAdded a test case to check that atom container diffs are correct when using deserialized objects\nFixed IntegerDifference so that it actually checks the integer value rather than references of the Integer object. Fixes the problem whereby an object serialized to disk and then deserialized does not match the original object (i.e., non empty diff string)\nApplied patch #2675819 (Stefan Kuhn): Patch to add a removeReaction to reactionSet\nUse interface instead of implementation\nRemoved an unused import\nUse IAtomContainer instead of IMolecule, as the actual matching is using IAtomContainers already (fixes #2686249)\nFixed a ClassCastException (fixes #2685134)\nAdded source attrib to fix building the Ubuntu .deb\nFixed Help build system: use doclet jars in develjar/; updated for new src folder src/main; removed very outdated use of rt.jar\nRemoved libdepends include for test-ioformats, which does not actually have libdepends\nUpdated so that if a target atom has no symbol (such as pseudo atoms) the match returns false (rather than an NPE)\nFixed proper handling of #n SMARTS querys\nAdded test case for bug 2686473\nAdded note on Ant 1.7.1 required\nFixed a NPE source: 'null == 2' causes an exception, so first test for nullness\nFixed copyright notice for 2009\nFixed duplicate storage of layout templates, which only belong in the sdg module, not extra module too\nMerge branch 'local1.2' of ../../git-svn/cdk\nThanx for all who reported bug reports!
", "summary": "I just released CDK 1.2.1 (aka The CDK Workshop 2009 Release), which is now available for download from SourceForge. The source can be found in our Git repository. The changes since 1.2.0 are mostly bug fixing, new unit tests, and minor clean up here and there:", "date_published": "2009-04-17T00:00:00+00:00", "date_modified": "2009-04-17T00:00:00+00:00", "tags": ["cdk"], "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ] } ] }