Update callLCModel.m

Does not need MRSCont as input (allows the function to be used more universally as a helper function).
schorschinho · Apr 8, 2024 · 1d974ed · 1d974ed
1 parent 926f389
commit 1d974ed
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Showing 2 changed files with 7 additions and 9 deletions.
diff --git a/fit/code/LCMwrapper/LCModelWrapper.m b/fit/code/LCMwrapper/LCModelWrapper.m
@@ -61,14 +61,12 @@
         end
     end
 
-    callLCModel(MRSCont, MRSCont.opts.fit.lcmodel.controlfileA{kk},[pathLCModelBinary filesep bin]);
-
-    % Save the parameters and information about the basis set
-
-    MRSCont.fit.results.metab.fitParams{1,kk,1} = readLCMFitParams(MRSCont, 'A', kk);
-
-    if MRSCont.flags.isMEGA
-        callLCModel(MRSCont, MRSCont.opts.fit.lcmodel.controlfileDiff1{kk},[pathLCModelBinary filesep bin]);
+    % Call LCModel and read in the LCModel output files
+    if MRSCont.flags.isUnEdited
+        callLCModel(MRSCont.opts.fit.lcmodel.controlfileA{kk}, [pathLCModelBinary filesep bin]);
+        MRSCont.fit.results.metab.fitParams{1,kk,1} = readLCMFitParams(MRSCont, 'A', kk);
+    elseif MRSCont.flags.isMEGA
+        callLCModel(MRSCont.opts.fit.lcmodel.controlfileDiff1{kk}, [pathLCModelBinary filesep bin]);
         MRSCont.fit.results.metab.fitParams{1,kk,2} = readLCMFitParams(MRSCont, 'diff1', kk);
     end
 end
diff --git a/fit/code/LCMwrapper/callLCModel.m b/fit/code/LCMwrapper/callLCModel.m
@@ -1,4 +1,4 @@
-function callLCModel(MRSCont, controlFile,pathLCModelBinary)
+function callLCModel(controlFile, pathLCModelBinary)
 % Wrapper function for LCModel binary
 
 callLCMCommand = ['"' pathLCModelBinary '" < "' controlFile '"'];