allow user to skip pixelcal after pixelcal (#517)

src/snapred/ui/view/DiffCalTweakPeakView.py

@@ -61,6 +61,9 @@ def __init__(self, samples=[], groups=[], parent=None):
         self.signalRunNumberUpdate.connect(self._updateRunNumber)
         self.signalMaxChiSqUpdate.connect(self._updateMaxChiSq)
 
+        # skip pixel calibration toggle
+        self.skipPixelCalToggle = self._labeledToggle("Skip Pixel Calibration", False)
+
         self.continueAnyway = False
         self.signalContinueAnyway.connect(self._updateContinueAnyway)
 
@@ -100,7 +103,8 @@ def __init__(self, samples=[], groups=[], parent=None):
 
         # add all elements to the grid layout
         self.layout.addWidget(self.runNumberField, 0, 0)
-        self.layout.addWidget(self.litemodeToggle, 0, 1)
+        self.layout.addWidget(self.litemodeToggle, 0, 1, 1, 2)
+        self.layout.addWidget(self.skipPixelCalToggle, 0, 2)
         self.layout.addWidget(self.navigationBar, 1, 0)
         self.layout.addWidget(self.canvas, 2, 0, 1, -1)
         self.layout.addLayout(peakControlLayout, 3, 0, 1, 2)
@@ -325,3 +329,6 @@ def verify(self):
             self._testContinueAnywayStates()
 
         return True
+
+    def getSkipPixelCalibration(self):
+        return self.skipPixelCalToggle.field.getState()

src/snapred/ui/workflow/DiffCalWorkflow.py

@@ -97,6 +97,10 @@ def __init__(self, parent=None):
         self._requestView.litemodeToggle.stateChanged.connect(self._tweakPeakView.litemodeToggle.setState)
         self._tweakPeakView.litemodeToggle.stateChanged.connect(self._requestView.litemodeToggle.setState)
 
+        # connect the skip pixelcal toggles across the views
+        self._requestView.skipPixelCalToggle.stateChanged.connect(self._tweakPeakView.skipPixelCalToggle.setState)
+        self._tweakPeakView.skipPixelCalToggle.stateChanged.connect(self._requestView.skipPixelCalToggle.setState)
+
         self.prevFWHM = DiffCalTweakPeakView.FWHM
         self.prevXtalDMin = DiffCalTweakPeakView.XTAL_DMIN
         self.prevXtalDMax = DiffCalTweakPeakView.XTAL_DMAX
@@ -257,6 +261,10 @@ def _specifyRun(self, workflowPresenter):
         self._renewFitPeaks(self.peakFunction)
         response = self._calculateResidual()
 
+        # freeze these toggles, as they can no longer function
+        self._requestView.litemodeToggle.setEnabled(False)
+        self._requestView.skipPixelCalToggle.setEnabled(False)
+
         self._tweakPeakView.updateGraphs(
             self.focusedWorkspace,
             self.ingredients.groupedPeakLists,
@@ -280,8 +288,26 @@ def renewWhenRecalculate(self, groupingIndex, xtalDMin, xtalDMax, peakFunction,
 
         self.focusGroupPath = list(self.focusGroups.items())[groupingIndex][0]
 
+        newSkipPixelSelection = self._tweakPeakView.skipPixelCalToggle.getState()
+
+        # if the user made a change in skip pixelcal election, redo everything
+        if self.skipPixelCal != newSkipPixelSelection:
+            self.skipPixelCal = newSkipPixelSelection
+            self._renewIngredients(xtalDMin, xtalDMax, peakFunction, fwhm, maxChiSq)
+            self._renewPixelCal()
+            self._renewFocus(groupingIndex)
+            self._renewFitPeaks(peakFunction)
+            self._calculateResidual()
+
+        # if the grouping file changes, load new grouping and refocus
+        elif groupingIndex != self.prevGroupingIndex:
+            self._renewIngredients(xtalDMin, xtalDMax, peakFunction, fwhm, maxChiSq)
+            self._renewFocus(groupingIndex)
+            self._renewFitPeaks(peakFunction)
+            self._calculateResidual()
+
         # if peaks will change, redo only the smoothing
-        if (
+        elif (
             xtalDMin != self.prevXtalDMin
             or xtalDMax != self.prevXtalDMax
             or peakFunction != self.peakFunction
@@ -293,13 +319,6 @@ def renewWhenRecalculate(self, groupingIndex, xtalDMin, xtalDMax, peakFunction,
             self._renewFitPeaks(peakFunction)
             self._calculateResidual()
 
-        # if the grouping file changes, load new grouping and refocus
-        if groupingIndex != self.prevGroupingIndex:
-            self._renewIngredients(xtalDMin, xtalDMax, peakFunction, fwhm, maxChiSq)
-            self._renewFocus(groupingIndex)
-            self._renewFitPeaks(peakFunction)
-            self._calculateResidual()
-
         self.peaksWerePurged = False
 
         # NOTE it was determined pixel calibration NOT need to be re-calculated when peak params change.