Changeset 4548

Timestamp:

Feb 28, 2014, 2:48:40 PM (9 years ago)

Author:

Fredrik Levander

Message:

Catching unexpected modifications in msp library export.

File:

• trunk/contrib/SpectrumLibraryExport/src/satoshi/LibraryExportPlugin.java (modified) (1 diff)

trunk/contrib/SpectrumLibraryExport/src/satoshi/LibraryExportPlugin.java

@@ -1001 +1001 @@
           {
             int pos = om.getPosition();
-            ModifiedAminoAcid maa = new ModifiedAminoAcid(pep.aminoAcids[pos],Modifier.parseMolecule(om.getDiffFormula()));
-            pep.aminoAcids[pos]=maa;
+            if (om.getDiffFormula()!=null)
+            {
+              ModifiedAminoAcid maa = new ModifiedAminoAcid(pep.aminoAcids[pos],Modifier.parseMolecule(om.getDiffFormula()));
+              pep.aminoAcids[pos]=maa;
+            }
+            else
+            {
+              output2.write("WARNING! Couldn't calculate modification properly for peptide:"+om.getName()+"\n");
+            }
           }
           List<Ion<PeptideFragment>> ions = PeptideUtil.possibleYAndBIons(pep, 2);