cdk.git
2009-07-29 Egon WillighagenFixed perception of N.planar3 where N.sp2 was detected... bioclipse-2.0.x 1.2.3.0bioclipse1
2009-07-29 Egon WillighagenFixed perception of benzene with all single bond, but...
2009-07-29 Egon WillighagenAdded assertions to unit test for values being not...
2009-07-29 Egon WillighagenAdded two unit tests for the same problem: carbon atom...
2009-07-29 Egon WillighagenCustomized version for Bioclipse based on CDK 1.2.3
2009-07-25 Egon WillighagenAdded unit test for bug #2826961: inconsistent atom... cdk-1.2.x
2009-07-21 Egon WillighagenRemove erroneous throws statement
2009-07-21 Miguel Rojas... Bug found calculating the exact mass given a molecular...
2009-07-20 Egon WillighagenFixed reading of the cdk/dict/data/elements.owl databas...
2009-06-23 Uli KöhlerFixed issue 2458210: use assertNotNull(foo) etc instead...
2009-06-20 Egon WillighagenAdded minimum equivalents for BondManipulator.getMaximu...
2009-06-12 Egon WillighagenFixes asserts: after removal *no* change should be...
2009-06-12 Egon WillighagenAdded IO option to disable generator of XML declaration...
2009-06-12 Egon WillighagenAdded generics, and consistified code by always returni...
2009-06-10 Egon WillighagenAdded unit tests to test that when a [Molecule|Reaction...
2009-06-10 Egon WillighagenAdded unit tests for event propagation from [Molecule...
2009-06-09 Egon WillighagenMore testing of flags.
2009-06-09 Paul TurnerFix for junior job id: [ 1837692 ] Test methods should...
2009-06-09 Egon WillighagenFixed missing imports and wrapped to 80 chars
2009-06-09 Stefan KuhnBetter excpetion handling in builder3d:
2009-06-05 Egon WillighagenFixed serialization of IAtom's with null formal charge...
2009-06-05 Egon WillighagenAdded unit test for serialization of null formal charge...
2009-05-31 Rajarshi GuhaUpdated Javadocs for SMARTS query tool to indicate...
2009-05-31 Rajarshi GuhaCleaned up source file to remove spurious line endings
2009-05-25 Egon WillighagenBumped version number cdk-1.2.3
2009-05-18 Miguel Rojas... The formal charge of the IAtomcontainer is transfered...
2009-05-08 Rajarshi GuhaFixed bug 2787332 The old bond array in the gasteiger...
2009-05-08 Rajarshi GuhaUpdated to fix bug 2788357 SMARTSQueryTool now catches...
2009-05-06 Rajarshi GuhaAdded new taglet to process cdk.githash tag and link...
2009-05-06 Rajarshi GuhaUpdated cdk.svnrev tags to cdk.githash tags
2009-05-05 Miguel Rojas... Bug_2787332. Added test for the Triclosan molecule...
2009-05-05 Egon WillighagenRemoved obsolete renderer code: either use cdk-1.0...
2009-05-05 Rajarshi GuhaAdded test for bug 2786624 in the parser test suite
2009-05-05 Rajarshi GuhaMerge branch 'cdk-1.2.x' of ssh://rajarshi@cdk.git...
2009-05-05 Egon WillighagenAdded links to PMD pages
2009-05-05 Egon WillighagenAdded link to JUnit stats
2009-05-05 Egon WillighagenAdded list of classes in the module, with links to...
2009-05-05 Egon WillighagenAdded set up for creating module HTML pages
2009-05-05 Egon WillighagenAdded set up for creating module HTML pages
2009-05-05 Egon WillighagenFixed links. Suboptimal, as the path is still hardcoded... cdk-1.2.2
2009-05-05 Egon WillighagenUpdated version number
2009-05-05 Egon WillighagenAdded test to ensure IAtomContainers are not sneaked...
2009-05-05 Egon WillighagenOverwritten addAtomContainer(IAtomContainer, double...
2009-05-05 Egon WillighagenNow throws an IllegalArgumentException when it is tried...
2009-05-05 Egon WillighagenAdded unit test for #2784182
2009-05-01 Stefan Kuhnnew test with reserpine
2009-05-01 Egon WillighagenAdded taglets for threading safety
2009-05-01 Egon WillighagenWith one atom or less, we define it to be connected...
2009-05-01 Egon WillighagenAdded unit test for bug #2784209 which currently fails
2009-05-01 Egon WillighagenMore removal of explicit org.openscience.cdk package...
2009-05-01 Egon WillighagenMore removal of explicit org.openscience.cdk package...
2009-05-01 Egon WillighagenMore removal of explicit org.openscience.cdk package...
2009-05-01 Egon WillighagenRemoved explicit org.openscience.cdk.interfaces package...
2009-05-01 Egon WillighagenRemoved explicit package names, in favor of imports...
2009-05-01 Egon WillighagenRemoved explicit package names, in favor of imports...
2009-05-01 mark_rynbeekbreakout of recursion option on AllRingsFinder
2009-05-01 Miguel Rojas... Extraction from the string elemental formula the charge.
2009-05-01 Miguel Rojas... Extraction from the string elemental formula the charge.
2009-05-01 Miguel Rojas... Controller of the mass when it is out of the range
2009-04-28 Rajarshi GuhaUpdated to intelligently add H's to a PLANAR3 N, fixes...
2009-04-28 Rajarshi GuhaAdded test case for bug 2781199
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-27 paulturnercalls to CDKException constructor made within a catch...
2009-04-24 Egon WillighagenAdded a unit test to ensure SD fields are read for...
2009-04-21 Stefan Kuhnsplit up test
2009-04-21 Stefan Kuhnnew files
2009-04-21 Stefan Kuhnmore tests for cml reading
2009-04-21 Egon WillighagenAdded unit test for #1848591: incorrect Murcko framework
2009-04-21 Egon WillighagenFixed cast, remove redundant full package name
2009-04-21 Egon WillighagenAdded unit test for #2692107
2009-04-21 Egon WillighagenFixed typo: missing 's'
2009-04-17 Egon WillighagenUse the proper folder name, including the CDK version cdk-1.2.1
2009-04-17 Egon Willighagen1.2.1 release being prepared
2009-04-16 Rajarshi GuhaFixed bug 2714283, which properly throws an exception...
2009-04-16 Rajarshi GuhaFixed bug 2729120 and added unit test
2009-04-16 Rajarshi GuhaUpdated comment to fix bug 2768643.
2009-04-16 Rajarshi GuhaPartial fix for bug 2719237. Made getBondOrderSum stati...
2009-04-15 Egon WillighagenTypo: proteinl -> protein
2009-04-15 Egon WillighagenMade class public, to unbreak adding it to the build...
2009-04-14 Rajarshi GuhaPartially fixed SMARTS matching for R0. Updated target...
2009-04-14 Rajarshi GuhaFixed dubious equality test. A private method was check...
2009-04-14 Rajarshi GuhaAdded test method annotation. Completes coverage for...
2009-04-14 Rajarshi GuhaRefactored ChiIndexUtils to make it package private...
2009-04-14 Rajarshi GuhaCode cleanup of ChiIndexUtils. Converted to 1.5 idioms
2009-04-14 Rajarshi GuhaClean up of PathTools and added test method annotation...
2009-04-14 Egon WillighagenFixed the previous commit to edit the cdk.keyword line...
2009-04-12 Egon WillighagenMore consistent keywords used
2009-04-07 Rajarshi GuhaAdded a test to ensure that Integer objects are compare...
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