finished quick search implementation

lifs-tools · Oct 10, 2023 · fad7018 · fad7018
1 parent 49b552a
commit fad7018
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Showing 2 changed files with 8 additions and 4 deletions.
diff --git a/LipidCreator/CreatorGUI.cs b/LipidCreator/CreatorGUI.cs
@@ -228,7 +228,7 @@ public CreatorGUI(string _inputParameters)
                 medNegAdductCheckbox2.Enabled = false;
                 medNegAdductCheckbox3.Enabled = false;
                 medNegAdductCheckbox4.Enabled = false;
-                changeTab(6);
+                changeTab(0);
 
                 // add instruments into menu for collision energy optimization
                 for (int i = 1; i < lipidCreator.availableInstruments.Count; ++i)
@@ -1481,9 +1481,10 @@ public void changeTabElements(int index)
                     break;
             }
 
-            menuResetCategory.Enabled = currentIndex != LipidCategory.NoLipid;
-            menuMS2Fragments.Enabled = currentIndex != LipidCategory.NoLipid;
-            menuIsotopes.Enabled = currentIndex != LipidCategory.NoLipid;
+            HashSet<LipidCategory> acceptedLipids = new HashSet<LipidCategory>(){LipidCategory.Glycerolipid, LipidCategory.Glycerophospholipid, LipidCategory.Sphingolipid, LipidCategory.Sterollipid, LipidCategory.LipidMediator};
+            menuResetCategory.Enabled = acceptedLipids.Contains(currentIndex);
+            menuMS2Fragments.Enabled = acceptedLipids.Contains(currentIndex);
+            menuIsotopes.Enabled = acceptedLipids.Contains(currentIndex);
 
             if (currentLipid != null)
             {

diff --git a/LipidCreator/LipidCreator.cs b/LipidCreator/LipidCreator.cs
@@ -2006,6 +2006,8 @@ public Lipid translateLipid(csgoslin.LipidAdduct lipidAdduct, bool allowSpecies
                     ((Glycerolipid)lipid).fag3 = new FattyAcidGroup(false, true);
                     ((Glycerolipid)lipid).containsSugar = lipidAdduct.contains_sugar();
                     fagEnum = new FattyAcidGroupEnumerator((Glycerolipid)lipid);
+                    string hgGL = lipidAdduct.get_lipid_string(csgoslin.LipidLevel.CLASS);
+                    if ((new HashSet<string>(){"DGDG", "MGDG", "SQDG"}).Contains(hgGL)) ((Glycerolipid)lipid).containsSugar = true;
                     break;
 
                 case csgoslin.LipidCategory.GP:
@@ -2014,6 +2016,7 @@ public Lipid translateLipid(csgoslin.LipidAdduct lipidAdduct, bool allowSpecies
                     string hg = lipidAdduct.get_lipid_string(csgoslin.LipidLevel.CLASS);
                     if ((new HashSet<string>(){"PC", "PE", "LPC", "LPE"}).Contains(hg))
                     {
+                        ((Phospholipid)lipid).hasPlasmalogen = true;
                         if (lipidAdduct.lipid.fa_list.Count > 0)
                         {
                             if (lipidAdduct.lipid.fa_list[0].lipid_FA_bond_type == csgoslin.LipidFaBondType.ETHER_PLASMANYL) hg += " O";