Refactor HEDM calibration for short-term changes

We eventually want to use features from our main calibration workflows,
such as the "undo" button, and the relative constraints. However, we
need to make short-term updates to the HEDM calibration workflow.

This makes several changes, including allowing users to see how the
refinement options get changed with different refinement settings,
allowing users to select grains to be used, and allowing users to
see and set all parameters used as input for `pull_spots()`.

Fixes: #1741

Signed-off-by: Patrick Avery <[email protected]>

Author: psavery

hexrdgui/calibration/hedm/calibration_options_dialog.py

@@ -47,19 +47,15 @@ def clear(self):
     def run(self):
         self.clear()
         self.pre_validate()
-        self.synchronize_omega_period()
 
         # Create the grains table
-        shape = (self.num_active_overlays, 21)
-        self.grains_table = np.empty(shape, dtype=np.float64)
-
-        gw = instrument.GrainDataWriter(array=self.grains_table)
-        for i, overlay in enumerate(self.active_overlays):
-            gw.dump_grain(i, 1, 0, overlay.crystal_params)
+        if self.num_active_overlays > 0:
+            material = self.material
+        else:
+            material = HexrdConfig().active_material
 
         kwargs = {
-            'material': self.material,
-            'grains_table': self.grains_table,
+            'material': material,
             'parent': self.parent,
         }
         dialog = HEDMCalibrationOptionsDialog(**kwargs)
@@ -70,13 +66,16 @@ def run(self):
     def on_options_dialog_accepted(self):
         dialog = self.options_dialog
 
+        shape = (self.num_active_overlays, 21)
+        self.grains_table = np.empty(shape, dtype=np.float64)
+        gw = instrument.GrainDataWriter(array=self.grains_table)
+        for i, overlay in enumerate(self.active_overlays):
+            gw.dump_grain(i, 1, 0, overlay.crystal_params)
+
+        self.synchronize_omega_period()
+
         # Grab some selections from the dialog
         self.do_refit = dialog.do_refit
-        self.clobber_strain = dialog.clobber_strain
-        self.clobber_centroid = dialog.clobber_centroid
-        self.clobber_grain_Y = dialog.clobber_grain_Y
-
-        self.clobber_refinements()
         self.run_calibration()
 
     def run_calibration(self):
@@ -99,9 +98,6 @@ def on_pull_spots_finished(self, spots_data_dict):
 
         # User selected these from the dialog
         do_refit = self.do_refit
-        clobber_strain = self.clobber_strain
-        clobber_centroid = self.clobber_centroid
-        clobber_grain_Y = self.clobber_grain_Y
 
         # Our grains table only contains the grains that the user
         # selected.
@@ -118,15 +114,6 @@ def on_pull_spots_finished(self, spots_data_dict):
         ome_period = self.ome_period
 
         grain_parameters = grain_parameters.copy()
-        if clobber_strain:
-            for grain in grain_parameters:
-                grain[6:] = cnst.identity_6x1
-        if clobber_centroid:
-            for grain in grain_parameters:
-                grain[3:6] = cnst.zeros_3
-        if clobber_grain_Y:
-            for grain in grain_parameters:
-                grain[4] = 0.
         ngrains = len(grain_parameters)
 
         # The styles we will use for plotting points
@@ -472,28 +459,6 @@ def material(self):
     def active_overlay_refinements(self):
         return [x.refinements for x in self.active_overlays]
 
-    def clobber_refinements(self):
-        any_clobbering = (
-            self.clobber_strain or
-            self.clobber_centroid or
-            self.clobber_grain_Y
-        )
-        if not any_clobbering:
-            return
-
-        for overlay in self.active_overlays:
-            refinements = overlay.refinements
-            if self.clobber_strain:
-                for i in range(6, len(refinements)):
-                    refinements[i] = False
-            if self.clobber_centroid:
-                for i in range(3, 6):
-                    refinements[i] = False
-            if self.clobber_grain_Y:
-                refinements[4] = False
-
-        HexrdConfig().update_overlay_editor.emit()
-
     def synchronize_material(self):
         # This material is used for creating the indexing config.
         # Make sure it matches the material we are using.
@@ -509,8 +474,8 @@ def synchronize_omega_period(self):
     def pre_validate(self):
         # Validation to perform before we do anything else
         if not self.active_overlays:
-            msg = 'There must be at least one visible rotation series overlay'
-            raise Exception(msg)
+            # No more validation needed.
+            return
 
         ome_periods = []
         for overlay in self.active_overlays:
@@ -539,10 +504,6 @@ def pre_validate(self):
             )
             raise Exception(msg)
 
-        if not np.any(self.all_flags):
-            msg = 'There are no refinable parameters'
-            raise Exception(msg)
-
         # Make sure the material is updated in the indexing config
         self.synchronize_material()
 

hexrdgui/calibration/hedm/calibration_runner.py

@@ -194,9 +194,15 @@ class HexrdConfig(QObject, metaclass=QSingleton):
     """Indicate that the state was loaded..."""
     state_loaded = Signal()
 
+    """Indicate that the overlay manager should update its table"""
+    update_overlay_manager = Signal()
+
     """Indicate that the overlay editor should update its GUI"""
     update_overlay_editor = Signal()
 
+    """Indicate that the main window should update it's instrument toolbox"""
+    update_instrument_toolbox = Signal()
+
     """Indicate that the beam marker has been modified"""
     beam_marker_modified = Signal()
 

hexrdgui/hexrd_config.py

@@ -894,7 +894,7 @@ def beam_vector_changed(self):
             # Right now, hexrd doesn't want this to be inf.
             # Maybe that will change in the future...
             self.iviewer.instr.source_distance = (
-                beam_config['source_distance']['value'],
+                beam_config['source_distance']['value']
             )
 
         self.update_overlays()

hexrdgui/image_canvas.py

@@ -332,6 +332,8 @@ def setup_connections(self):
             self.update_drawn_mask_line_picker_canvas)
         HexrdConfig().tab_images_changed.connect(
             self.update_mask_region_canvas)
+        HexrdConfig().update_instrument_toolbox.connect(
+            self.update_config_gui)
 
         ImageLoadManager().update_needed.connect(self.update_all)
         ImageLoadManager().new_images_loaded.connect(self.new_images_loaded)

hexrdgui/main_window.py

@@ -47,6 +47,7 @@ def setup_connections(self):
         self.ui.add_button.pressed.connect(self.add)
         self.ui.remove_button.pressed.connect(self.remove)
         self.ui.edit_style_button.pressed.connect(self.edit_style)
+        HexrdConfig().update_overlay_manager.connect(self.update_table)
         HexrdConfig().update_overlay_editor.connect(self.update_overlay_editor)
         HexrdConfig().materials_added.connect(self.update_table)
         HexrdConfig().material_renamed.connect(self.on_material_renamed)

hexrdgui/overlay_manager.py

@@ -20,9 +20,10 @@ class RotationSeriesOverlay(Overlay):
 
     def __init__(self, material_name, crystal_params=None, eta_ranges=None,
                  ome_ranges=None, ome_period=None, aggregated=True,
-                 ome_width=np.radians(5.0).item(), tth_width=None,
-                 eta_width=None, sync_ome_period=True, sync_ome_ranges=True,
-                 **overlay_kwargs):
+                 ome_width=np.radians(1.5).item(),
+                 tth_width=np.radians(0.25).item(),
+                 eta_width=np.radians(1.0).item(),
+                 sync_ome_period=True, sync_ome_ranges=True, **overlay_kwargs):
         super().__init__(material_name, **overlay_kwargs)
 
         if crystal_params is None:

hexrdgui/overlays/rotation_series_overlay.py

@@ -29,6 +29,7 @@ def __init__(self, parent=None):
 
         self.ui.tree_view_layout.addWidget(self.tree_view)
 
+        self._hide_bottom_buttons = False
         self.iconfig_values_modified = False
         self.material_values_modified = False
 
@@ -43,6 +44,17 @@ def setup_connections(self):
         self.ui.button_box.accepted.connect(self.ui.accept)
         self.ui.button_box.rejected.connect(self.ui.reject)
 
+    @property
+    def hide_bottom_buttons(self):
+        return self._hide_bottom_buttons
+
+    @hide_bottom_buttons.setter
+    def hide_bottom_buttons(self, b):
+        self._hide_bottom_buttons = b
+
+        self.ui.reset.setVisible(not b)
+        self.ui.button_box.setVisible(not b)
+
     def reset_dict(self):
         config = {}
         config['instrument'] = self.create_instrument_dict()
@@ -65,7 +77,7 @@ def create_instrument_dict(self):
         # Recurse through it, setting all status keys and renaming them to
         # "_refinable".
         blacklisted = ['saturation_level', 'buffer', 'pixels', 'id',
-                       'source_distance']
+                       'source_distance', 'detector_type']
 
         def recurse(cur, idict):
             if 'status' in cur:
@@ -98,7 +110,7 @@ def recurse(cur, idict):
 
     def create_materials_dict(self):
         mdict = {}
-        for overlay in self.overlays:
+        for overlay in self.visible_overlays:
             name = overlay.name
             values = refinement_values(overlay)
             if not values:
@@ -152,7 +164,7 @@ def recurse(cur, idict):
 
     def update_materials_config(self):
         mdict = self.dict['materials']
-        for overlay in self.overlays:
+        for overlay in self.visible_overlays:
             name = overlay.name
             refinements = []
             values = []
@@ -168,6 +180,10 @@ def update_materials_config(self):
     def overlays(self):
         return HexrdConfig().overlays
 
+    @property
+    def visible_overlays(self):
+        return [x for x in self.overlays if x.visible]
+
     def setup_actions(self):
         labels = list(self.actions.keys())
         self.ui.action.clear()
@@ -180,6 +196,7 @@ def apply_action(self):
 
         # Update the tree view
         self.update_tree_view()
+        self.tree_view.dict_modified.emit()
 
     @property
     def actions(self):
@@ -238,7 +255,7 @@ def powder_values():
         return ret
 
     def laue_values():
-        params = overlay.crystal_params
+        params = copy.deepcopy(overlay.crystal_params)
         # These params should be in the same order as the refinements
         params[:3] = to_convention(params[:3])
         for i, label in enumerate(overlay.refinement_labels):

hexrdgui/refinements_editor.py

@@ -147,7 +147,7 @@ fit_grains:
 
 # Some custom ones we have added for the GUI
 _hedm_calibration:
-  do_refit: false
-  clobber_strain: false
+  do_refit: true
+  clobber_strain: true
+  clobber_grain_Y: true
   clobber_centroid: false
-  clobber_grain_Y: false