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17:56 on Feb 09, 2012
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The last message was received 0.81 weeks ago at 01:13 on Feb 04, 2012
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3 messages so far this month, 24 messages last month
14372 messages since the first one, 8.04 years ago, for an average of 4.9 hours between messages
recent messages
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21:51 Fridaycdk
Commit by Rajarshi Guha on master :: rb1827a7 / (9 files in 5 dirs): (link)
Merge branch 'foo' - http://git.io/iZ90bg
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21:40 Fridaycdk
Commit by Egon Willighagen on master :: rd9b1b08 / src/main/org/openscience/cdk/io/iterator/IteratingSDFReader.java : (link)
Added a bit of missing test method annotation - http://git.io/9zwTQw
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21:33 Fridaycdk
Commit by John May on master :: r751c1b9 / build.xml : (link)
Corrected JUnit version

Signed-off-by: Egon Willighagen <egonw at users dot sourceforge dot net> - http://git.io/2ce5Fw
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14:20 on Jan 31cdk
Commit by Egon Willighagen on master :: r5e81816 / src/main/org/openscience/cdk/io/program/Mopac7Writer.java : (link)
Write a CHARGE command when the entity has a non-zero charge - http://git.io/q7ctvw
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14:20 on Jan 31cdk
Commit by Egon Willighagen on master :: rb635613 / src/test/org/openscience/cdk/io/program/Mopac7WriterTest.java : (link)
Added a unit test for charged entities - http://git.io/RkkUPA
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16:59 on Jan 30cdk
Commit by Stephan Beisken on cdk-1.4.x :: rfb47c57 / src/main/org/openscience/cdk/config/data/isotopes.xml : (link)
Updated isotope abundance values according to the IUPAC technical report 2009.

Signed-off-by: Egon Willighagen <egonw at users dot sourceforge dot net> - http://git.io/7IUraA
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14:01 on Jan 27cdk
Commit by egonw :: r63 /trunk/bodr/AUTHORS: (link)
Added a missing AUTHOR
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13:21 on Jan 25cdk
Commit by Egon Willighagen on cdk-1.4.x :: r1bb844d / src/test/org/openscience/cdk/tools/manipulator/AtomContainerComparatorTest.java : (link)
Updated unit test for commit #3093241, where null's are always larger than an actual object - http://git.io/wL1PJQ
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12:50 on Jan 25cdk
Commit by Rajarshi Guha on master :: r3005193 / (72 files in 9 dirs): (link)
Merge branch 'mopac' - http://git.io/_WNd7Q
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20:46 on Jan 24cdk
Commit by Egon Willighagen on master :: raec7fb3 / (2 files in 2 dirs): (link)
Removed two static fields that are already provided by RingSizeComparator

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://git.io/MhJNsQ
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21:47 on Jan 23cdk
Commit by Egon Willighagen on master :: r3cc4232 / src/test/org/openscience/cdk/io/ChemObjectWriterTest.java : (link)
Very basic tests for the setWriter() methods (it cannot test if something is really written, as we do not know what objects are supported by a random reader; therefore, we just expect that no exception is thrown)

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://git.io/1NORxg
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21:47 on Jan 23cdk
Commit by Egon Willighagen on master :: r1cdd680 / (19 files in 5 dirs): (link)
Use an enum, instead of ints

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://git.io/abGZVA
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21:02 on Jan 23cdk
Commit by Rajarshi Guha on cdk-1.4.x :: r652b5e2 / (9 files in 4 dirs): (link)
Merge branch 'cdk-1.4.x' of git at github dot com:cdk/cdk into cdk-1.4.x - http://git.io/S5JXDA
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10:27 on Jan 23cdk
Commit by Egon Willighagen on master :: rf878785 / README : (link)
Updated the copyright range - http://git.io/QvLL5Q
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10:23 on Jan 23cdk
Commit by Egon Willighagen on master :: redddc48 / (10 files in 5 dirs): (link)
Merged cdk-1.4.x - http://git.io/_cB_wg
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07:49 on Jan 23cdk
Commit by Egon Willighagen on cdk-1.4.x :: r03ef86b / (build.xml javadoc.xml): (link)
Ensure the OpenJavaDocCheck plugins are compiled - http://git.io/n2cVJw
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07:49 on Jan 23cdk
Commit by Egon Willighagen on master :: r03ef86b / (build.xml javadoc.xml): (link)
Ensure the OpenJavaDocCheck plugins are compiled - http://git.io/n2cVJw
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07:25 on Jan 23cdk
Commit by Egon Willighagen on master :: rdb6b021 / .classpath : (link)
In Eclipse, use the Eclipse way to find JUnit - http://git.io/XotipA
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13:44 on Jan 22cdk
Commit by Egon Willighagen on cdk-1.4.x :: r7dc949f / (4 files in 2 dirs): (link)
Fixes for the pseudo atom patch backporting: allow reading of IAtomContainer where IMolecule was already supported, fixed imports. Also removes an redundant, incorrect accepts() method

Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://git.io/0RqdKg
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13:43 on Jan 22cdk
Commit by Rajarshi Guha on cdk-1.4.x :: re59d204 / (7 files in 3 dirs): (link)
Updates MDL readers to set symbol of pseudatoms to label. Ensures that writing such a molecule does not force the SDF writer to see all pseudoatoms as R groups. Added unit test and test cases for V2000 and V3000 readers as well as V2000 writer

Signed-off-by: Egon Willighagen <egonw at users dot sourceforge dot net>
Signed-off-by: Rajarshi Guha <rajarshi dot guha at gmail dot com> - http://git.io/i7E_cQ
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