Merge pull request #143 from rolfverberg/main

fix: fixed issues with EDD non interactive without saving figs

CHAP/edd/processor.py

@@ -309,9 +309,9 @@ def process(
                 raise RuntimeError from exc
 
         if len(strain_analysis_config.materials) > 1:
-            msg = 'Not implemented for multiple materials'
-            self.logger.error('Not implemented for multiple materials')
-            raise NotImplementedError(msg)
+            error_msg = 'Not implemented for multiple materials'
+            self.logger.error(error_msg)
+            raise NotImplementedError(error_msg)
 
         # Collect the raw MCA data
         raise RuntimeError(
@@ -2770,7 +2770,9 @@ def get_nxroot(self, nxentry, strain_analysis_config):
         self._subtract_baselines()
 
         # Adjust the material properties
-        self._adjust_material_props(strain_analysis_config.materials)
+        strain_analysis_config.materials = self._adjust_material_props(
+            strain_analysis_config.materials)
+        self.logger.debug(f'materials: {strain_analysis_config.materials}')
 
         # Get the mask and HKLs used in the strain analysis
         self._get_mask_hkls(strain_analysis_config.materials)
@@ -2868,19 +2870,17 @@ def _adjust_material_props(self, materials):
 
         # ASK: extend to multiple detectors?
         detector = self._detectors[0]
-        tth = detector.tth_calibrated
         if self._save_figures:
             filename = os.path.join(
                 self._outputdir,
                 f'{detector.id}_strainanalysis_material_config.png')
         else:
             filename = None
-        materials = select_material_params(
+        return select_material_params(
             detector.energies, self._mean_data[0]*self._energy_masks[0],
-            tth, label='Sum of all spectra in the map',
+            detector.tth_calibrated, label='Sum of all spectra in the map',
             preselected_materials=materials, interactive=self._interactive,
             filename=filename)
-        self.logger.debug(f'materials: {materials}')
 
     def _create_animation(
             self, det_nxdata, energies, best_fits, detector_id):

CHAP/edd/utils.py

@@ -563,9 +563,9 @@ def select_material_params(
     :rtype: list[CHAP.edd.models.MaterialConfig]
     """
     # Third party modules
-    import matplotlib.pyplot as plt
     if interactive or filename is not None:
         from hexrd.material import Material
+        import matplotlib.pyplot as plt
         from matplotlib.widgets import Button, TextBox, RadioButtons
 
     # Local modules
@@ -635,6 +635,14 @@ def accept(event):
         """Callback function for the "Accept" button."""
         plt.close()
 
+    if not interactive and filename is None:
+        if preselected_materials is None:
+            raise RuntimeError(
+                'If the material properties are not explicitly provided, '
+                f'{self.__class__.__name__} must be run with '
+                '`interactive=True`.')
+        return preselected_materials
+
     materials = []
     added_material = []
     removed_material = []
@@ -953,15 +961,15 @@ def on_span_select(xmin, xmax):
             elif removed_hkls:
                 change_error_text(
                     'Removed HKL(s) outside the selected energy mask')
-        # If using ref_map, update the colorbar range to min / max of
-        # the selected data only
-        if ref_map is not None:
-            selected_data = ref_map[:,get_mask()]
-            ref_map_mappable = ax_map.pcolormesh(
-                x, np.arange(ref_map.shape[0]), ref_map,
-                vmin=selected_data.min(), vmax=selected_data.max())
-            fig.colorbar(ref_map_mappable, cax=cax)
-        plt.draw()
+            # If using ref_map, update the colorbar range to min / max of
+            # the selected data only
+            if ref_map is not None:
+                selected_data = ref_map[:,get_mask()]
+                ref_map_mappable = ax_map.pcolormesh(
+                    x, np.arange(ref_map.shape[0]), ref_map,
+                    vmin=selected_data.min(), vmax=selected_data.max())
+                fig.colorbar(ref_map_mappable, cax=cax)
+            plt.draw()
 
     def add_span(event, xrange_init=None):
         """Callback function for the "Add span" button."""