Issue 33: Chemical formula ordering should not effect warning about existing Unimod modification

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:1.2
Opened:2011-07-07 by Brendan MacLean
Changed:2011-11-11 by Brendan MacLean
Resolved:2011-07-25 by saj9191
Resolution:Fixed
Closed:2011-11-11 by Brendan MacLean
2011-07-07 Brendan MacLean
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.

2011-07-15 Brendan MacLean
Assigned Tokillea»saj9191@gmail.com

2011-07-25 saj9191
resolve as Fixed
Statusopen»resolved
Assigned Tosaj9191»Brendan MacLean

2011-11-11 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest