| Time |
Nick |
Message |
| 06:41 |
|
jbrefort joined #cdk |
| 10:04 |
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carsten joined #cdk |
| 10:19 |
|
rojasm joined #cdk |
| 12:34 |
CIA-16 |
cdk: miguelrojasch * r9545 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (2 files in 2 dirs): solved calculating formulaMolecular for high-mass. |
| 12:38 |
CIA-16 |
cdk: miguelrojasch * r9546 /branches/miguelrojasch/mf/src/org/openscience/cdk/test/formula/MassToFormulaToolTest.java: put inchi id with compound tests |
| 12:47 |
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thomas_ku joined #cdk |
| 13:07 |
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dleidert joined #cdk |
| 13:56 |
CIA-16 |
cdk: miguelrojasch * r9547 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (8 files in 3 dirs): added new molecularFormula checker based on IRule |
| 13:58 |
CIA-16 |
jmol: nicove * r8716 /trunk/Jmol-extensions/: MediaWiki extension |
| 13:58 |
CIA-16 |
jmol: nicove * r8717 /trunk/Jmol-extensions/ (6 files in 3 dirs): MediaWiki extension |
| 15:11 |
CIA-16 |
cdk: miguelrojasch * r9548 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (4 files in 2 dirs): new method which compare IMolecularFormula but not based on object's comparison |
| 17:38 |
|
jbrefort joined #cdk |
| 17:58 |
CIA-16 |
jmol: nicove * r8718 /trunk/Jmol-web/ (20 files in 3 dirs): |
| 18:29 |
|
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| 19:07 |
CIA-16 |
cdk: miguelrojasch * r9549 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (6 files in 4 dirs): new IsotopePatternRule which compare two isotope patterns given a score function. |
| 19:49 |
CIA-16 |
jmol: hansonr * r8719 /trunk/Jmol/src/org/jmol/modelset/ModelLoader.java: version=11.3.52_dev # bug fix: PDB CONECT records not creating bonds for ALL models |
| 19:57 |
|
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| 20:08 |
CIA-16 |
cdk: miguelrojasch * r9550 /branches/miguelrojasch/mf/src/org/openscience/cdk/test/formula/MolecularFormulaCheckerTest.java: added forgotten test |
| 22:35 |
|
carsten joined #cdk |
| 22:56 |
CIA-16 |
cdk: miguelrojasch * r9551 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (2 files in 2 dirs): New class to manipulate the MolecularFormulaRange |
