Title | | » | Chemical formula ordering should not effect warning about existing Unimod modification |
Assigned To | | » | killea |
Type | | » | Defect |
Area | | » | Skyline |
Priority | | » | 3 |
Milestone | | » | 1.2 |
Currently, if you specify a modification with the atoms in a different order than is stored inside the UniMod class, you won't get a message about the modification existing in Unimod. The user-specified chemical formula should be normalized to the same order used in the UniMod class before making this test, so that the order is not a factor.