Cler outputs, select correct file

disorderedmaterials · Jun 17, 2024 · 0807979 · 0807979
1 parent b602dd6
commit 0807979
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Showing 4 changed files with 20 additions and 7 deletions.
diff --git a/gudpy/core/gudpy.py b/gudpy/core/gudpy.py
@@ -495,6 +495,8 @@ def gudrun(
                 gudrunFile.OUTPATH
             )
 
+            gudrunFile.clearOutputs()
+
             deps = self.obtainDependencies(gudrunFile)
             for dep in deps:
                 shutil.copyfile(
@@ -667,6 +669,8 @@ def iterate(self, purge) -> typ.Tuple[int, str]:
                     self.exitcode = (exitcode, gudrunNC.error)
                     return self.exitcode
 
+                newCenterGudFile = self.gudrunFile.runSamples()[0].gudFile
+
                 # Run the current center
                 currentCenter = self.iterator.iterateCurrentCenter(
                     self.gudrunFile, sampleArg)
@@ -678,13 +682,13 @@ def iterate(self, purge) -> typ.Tuple[int, str]:
                     self.exitcode = (exitcode, gudrunCC.error)
                     return self.exitcode
 
+                currentCenterGudFile = self.gudrunFile.runSamples()[0].gudFile
+
                 # Compare the cost of the two centers
                 self.iterator.compareCost(
                     sampleArg=sampleArg,
-                    currentCenterGudFile=gudrunCC.sampleArg[
-                        "background"].samples[0].dataFiles[0].gudFile,
-                    newCenterGudFile=gudrunNC.sampleArg[
-                        "background"].samples[0].dataFiles[0].gudFile
+                    currentCenterGudFile=currentCenterGudFile,
+                    newCenterGudFile=newCenterGudFile
                 )
 
                 # Check if result has been achieved

diff --git a/gudpy/core/gudrun_file.py b/gudpy/core/gudrun_file.py
@@ -120,6 +120,15 @@ def __deepcopy__(self, memo):
             setattr(result, k, deepcopy(v, memo))
         return result
 
+    def clearOutputs(self):
+        self.outputFolder = ""
+        for sbg in self.sampleBackgrounds:
+            sbg.outputFolder = ""
+        for sample in self.runSamples():
+            for df in sample.dataFiles:
+                df._outputs = {}
+                df.outputFolder = ""
+
     def setGudrunDir(self, dir):
         self.instrument.GudrunInputFileDir = dir
 

diff --git a/gudpy/core/iterators.py b/gudpy/core/iterators.py
@@ -492,7 +492,7 @@ def setSelfScatteringFiles(self, scale, gudrunFile):
             for sample in sampleBackground.samples:
                 if sample.runThisSample and len(sample.dataFiles):
                     if scale == Scales.Q:
-                        targetFile = sample.dataFiles[0].mdcsFile
+                        targetFile = sample.dataFiles[0].msubwFile
                     else:
                         targetFile = sample.dataFiles[0].mintFile
                     sample.fileSelfScattering = (

diff --git a/gudpy/gui/widgets/core/main_window.py b/gudpy/gui/widgets/core/main_window.py
@@ -833,11 +833,11 @@ def handleContainerPlotModeChanged(self, index):
             self.ui.bottomContainerPlotFrame.setVisible(False)
             self.ui.containerPlotSplitter.setSizes([1, 0])
 
-    @ abstractmethod
+    @abstractmethod
     def isPlotModeSplittable(self, plotMode):
         return plotMode in SPLIT_PLOTS.keys()
 
-    @ abstractmethod
+    @abstractmethod
     def splitPlotMode(self, plotMode):
         return SPLIT_PLOTS[plotMode]