Merge pull request #20791 from mganeva/20775_toftof_gui

TOFTOF GUI minor issues fix

docs/source/release/v3.12.0/spectroscopy.rst

@@ -12,6 +12,8 @@ Spectroscopy Changes
 Direct Geometry
 ---------------
 
+- TOFTOF data reduction GUI has been improved. In the new version it has options to delete intermediate workspaces, to replace NaNs in S(Q,W), to create diffractograms and to save the reduced data in NXSPE and NeXus format.
+
 Indirect Geometry
 -----------------
 

scripts/Interface/reduction_gui/reduction/toftof/toftof_reduction.py

@@ -340,9 +340,9 @@ class TOFTOFScriptElement(BaseScriptElement):
         self.l("for ws in {}:".format(wsgroup))
         self.l("    name = ws.getComment() + {}".format(suffix))
         if self.saveNXSPE and self.binEon:
-            self.l("    SaveNXSPE(ws, join('{}', name + '.nxspe'), Efixed=Ei)".format(self.saveDir))
+            self.l("    SaveNXSPE(ws, join(r'{}', name + '.nxspe'), Efixed=Ei)".format(self.saveDir))
         if self.saveNexus:
-            self.l("    SaveNexus(ws, join('{}', name + '.nxs'))".format(self.saveDir))
+            self.l("    SaveNexus(ws, join(r'{}', name + '.nxs'))".format(self.saveDir))
         self.l()
 
     def normalize_data(self, gPrefix, gDataRuns, wsEC='', wsVan=''):
@@ -393,7 +393,10 @@ class TOFTOFScriptElement(BaseScriptElement):
         if self.CORR_TOF_VAN == self.correctTof:
             self.l("# apply vanadium TOF correction")
             self.l("{} = CorrectTOF({}, {})".format(gData2, gDataCleanFrame, eppTable))
-            self.delete_workspaces([gDataCleanFrame, gData, eppTable])
+            if self.ecRuns:
+                self.delete_workspaces([gDataCleanFrame, gData, eppTable])
+                return True
+            self.delete_workspaces([gDataCleanFrame, eppTable])
             return True
 
         elif self.CORR_TOF_SAMPLE == self.correctTof:
@@ -401,12 +404,17 @@ class TOFTOFScriptElement(BaseScriptElement):
             self.l("# apply sample TOF correction")
             self.l("{} = FindEPP({})".format(eppTables, gData))
             self.l("{} = CorrectTOF({}, {})".format(gData2, gDataCleanFrame, eppTables))
-            self.delete_workspaces([gDataCleanFrame, gData, eppTables])
+            if self.ecRuns:
+                self.delete_workspaces([gDataCleanFrame, gData, eppTables])
+                return True
+            self.delete_workspaces([gDataCleanFrame, eppTables])
             return True
 
-        if self.vanRuns:
+        if self.vanRuns and self.ecRuns:
             self.delete_workspaces([eppTable, gData])
-        else:
+        elif self.vanRuns:
+            self.delete_workspaces([eppTable])
+        elif self.ecRuns:
             self.delete_workspaces([gData])
         return False
 
@@ -522,8 +530,15 @@ class TOFTOFScriptElement(BaseScriptElement):
         if self.ecRuns:
             wsECNorm2 = wsECNorm + '2'
             self.l("{} = CloneWorkspace({})".format(wsECNorm2, wsECNorm))
+
         if self.vanRuns:
-            wsVanNorm = wsVanSubEC if self.subtractECVan else wsVanNorm
+            if self.subtractECVan:
+                wsVanNorm = wsVanSubEC
+            else:
+                wsVanNorm2 = wsVanNorm + '2'
+                self.l("{} = CloneWorkspace({})".format(wsVanNorm2, wsVanNorm))
+                wsVanNorm = wsVanNorm2
+
             if self.ecRuns:
                 self.l("{} = GroupWorkspaces({}list({}.getNames()))"
                        .format(gData, self.group_list([wsVanNorm, wsECNorm2], ' + '), gDataSource))
@@ -583,7 +598,7 @@ class TOFTOFScriptElement(BaseScriptElement):
             self.l("for ws in {}:" .format(gLast))
             self.l("    step1 = RemoveMaskedSpectra(ws)")
             self.l("    step2 = IntegrateByComponent(step1)")
-            self.l("    step3 = ConvertSpectrumAxis(step2, Target='Theta', EMode='Direct', EFixed=Ei, OrderAxis=True)")
+            self.l("    step3 = ConvertSpectrumAxis(step2, Target='Theta', EMode='Direct', EFixed=Ei)")
             self.l("    Transpose(step3, OutputWorkspace='{}_D_' + ws.getComment())"
                    .format(self.prefix))
             self.l("{} = GroupWorkspaces(['{}_D_'+ ws.getComment() for ws in {}])"

scripts/Interface/reduction_gui/widgets/toftof/toftof_setup.py

@@ -188,6 +188,14 @@ class TOFTOFSetupWidget(BaseWidget):
     TIP_rbtCorrectTOFVan = ''
     TIP_rbtCorrectTOFSample = ''
 
+    def dir_browse_dialog(self, default_dir=''):
+        """
+            Pop up a directory dialog box.
+        """
+        dirname = str(QFileDialog.getExistingDirectory(self, "Select Directory", default_dir, QFileDialog.DontUseNativeDialog))
+
+        return dirname
+
     def __init__(self, settings):
         BaseWidget.__init__(self, settings = settings)
 
@@ -396,12 +404,12 @@ class TOFTOFSetupWidget(BaseWidget):
         self.runDataModel.selectCell.connect(self._onSelectedCell)
 
     def _onDataDir(self):
-        dirname = self.dir_browse_dialog()
+        dirname = self.dir_browse_dialog(self.dataDir.text())
         if dirname:
             self.dataDir.setText(dirname)
 
     def _onSaveDir(self):
-        dirname = self.dir_browse_dialog()
+        dirname = self.dir_browse_dialog(self.saveDir.text())
         if dirname:
             self.saveDir.setText(dirname)