minor fixes and debug statements

easyscience · Feb 5, 2024 · 7cdcdfd · 7cdcdfd
1 parent 5c3a6e7
commit 7cdcdfd
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Showing 3 changed files with 23 additions and 5 deletions.
diff --git a/easyDiffractionApp/Logic/Experiment.py b/easyDiffractionApp/Logic/Experiment.py
@@ -241,6 +241,8 @@ def loadExperimentFromCifString(self, cifString="", job_name=""):
         self._currentIndex = len(self._dataBlocksNoMeas) - 1
         if not self.defined:
             self.defined = bool(len(self._dataBlocksNoMeas))
+
+        self._job.interface = self._interface
         self.dataBlocksChanged.emit()
 
     def jobToBlock(self, job=None):
@@ -1180,6 +1182,10 @@ def runProfileCalculations(self):
         # shove it all into the calculator.
 
         result = self._interface.calculate_profile()
+        # debug stuff - remove before merging
+        # simx = self._xArrays
+        # simx = self._dataBlocksMeasOnly[0]['loops']['_pd_meas'][0]['2theta_scan']['value']
+        # result = self._job.create_simulation(simx)
 
         console.debug(formatMsg('sub', 'Profle calculations', 'finished'))
 

diff --git a/easyDiffractionApp/Logic/Fitting2.py b/easyDiffractionApp/Logic/Fitting2.py
@@ -47,9 +47,11 @@ def __init__(self, proxy=None, interface=None):
         self.interface = interface
         # self.fitter = CoreFitter(self.parent.sample(), self.interface.fit_func)
         self.fitter = CoreFitter(self.parent.experiment.job(), self.parent.experiment.job().create_simulation)
+        # self.fitter = CoreFitter(self.parent.experiment.job(), self.interface.fit_func)
 
         # Multithreading
         # self._fitter_thread = None
+        self.use_threading = True # change to False to disable threading for testing
         self._fit_finished = True
         self._fit_results = _defaultFitResults()
         self.data = None
@@ -223,9 +225,13 @@ def startStop(self):
         # self.data = self.parent.pdata()
         name = 'pd_' + self.parent.experiment.job().name
         self.data = self.interface.data()._inOutDict[name]
-        if not self.fit_thread.is_alive():
-            self.is_fitting_now = True
-            self.fit_thread.start()
+        if self.use_threading:
+            if not self.fit_thread.is_alive():
+                self.is_fitting_now = True
+                self.fit_thread.start()
+        else:
+            # non-threaded version
+            self.fit_threading()
 
     @Property(str, notify=minimizerMethodChanged)
     def minimizerMethod(self):

diff --git a/easyDiffractionApp/Logic/Model.py b/easyDiffractionApp/Logic/Model.py
@@ -223,8 +223,11 @@ def loadModelsFromFiles(self, fpaths):
     # @Slot(str)
     def loadModelsFromEdCif(self, edCif):
         # Update the Phases object
-        phase = Phases.from_cif_string(edCif)
-        self.phases.append(phase[0])
+        phases = Phases.from_cif_string(edCif)
+        phases.interface = self._interface
+        for phase in phases:
+            phase.scale.fixed = True
+            self.phases.append(phase)
         self._currentIndex = len(self.phases) - 1
         # convert phase into dataBlocks
         dataBlocks = self.phaseToBlocks(self.phases)
@@ -236,6 +239,9 @@ def loadModelsFromEdCif(self, edCif):
         self.dataBlocksChanged.emit()
 
     def updateCifOnInterface(self):
+        '''
+        Update the CIF representation on the current interface
+        '''
         cif = self._dataBlocksCif[self.currentIndex][0]
         self._interface.updateModelCif(cif)