Time  Nick   Message
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
20:08 CIA-16 cdk: miguelrojasch * r9550 /branches/miguelrojasch/mf/src/org/openscience/cdk/test/formula/MolecularFormulaCheckerTest.java: added forgotten test
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
19:07 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.
17:58 CIA-16 jmol: nicove * r8718 /trunk/Jmol-web/ (20 files in 3 dirs):
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
13:58 CIA-16 jmol: nicove * r8717 /trunk/Jmol-extensions/ (6 files in 3 dirs): MediaWiki extension
13:58 CIA-16 jmol: nicove * r8716 /trunk/Jmol-extensions/: MediaWiki extension
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
12:38 CIA-16 cdk: miguelrojasch * r9546 /branches/miguelrojasch/mf/src/org/openscience/cdk/test/formula/MassToFormulaToolTest.java: put inchi id with compound tests
12:34 CIA-16 cdk: miguelrojasch * r9545 /branches/miguelrojasch/mf/src/org/openscience/cdk/ (2 files in 2 dirs): solved calculating formulaMolecular for high-mass.