Merge pull request #78 from usnistgov/56-integratesingleimage-indexin…

…g-error

Add support for single images in PyFAI integrators

src/PyHyperScattering/PFEnergySeriesIntegrator.py

@@ -39,6 +39,7 @@ def integrateSingleImage(self,img):
         #    get the energy and locate the matching integrator
         #    use that integrator to reduce
         #    return single reduced frame
+
         #print(f'    img.energy is a {type(img.energy)}, len = {len(img.energy)} and is {img.energy}') 
         #print(f'    img.system is a {type(img.system)}, len = {len(img.energy)} and is {img.system}')
         #print(f'    img.system.levels: {img.indexes["system"].names}')
@@ -75,10 +76,12 @@ def integrateSingleImage(self,img):
             except IndexError:
                 en = float(img.energy)
             except AttributeError:
-                en = img.energy[0]
-                warnings.warn(f'Using the first energy value of {img.energy}, check that this is correct.',stacklevel=2)
+                try:
+                    en = img.energy[0]
+                    warnings.warn(f'Using the first energy value of {img.energy}, if this contains more than one energy, your data are likely wrong.',stacklevel=2)
+                except IndexError:
+                    en = float(img.energy)
 
-
         try:
             self.integrator = self.integrator_stack[en]
         except KeyError:
@@ -89,7 +92,7 @@ def integrateSingleImage(self,img):
                 return res.interp(q=self.dest_q)
             else:
                 return res
-        except TypeError:
+        except (TypeError,AttributeError):
             return res
     def setupIntegrators(self,energies):
         '''
@@ -122,7 +125,7 @@ def integrateImageStack_dask(self,img_stack,chunksize=5):
         # idx_name_to_use = 'energy'#indexes[0]
         # idx_val_to_use = img_stack.indexes[idx_name_to_use]
 
-        
+
         if 'energy' in indexes:
             dim_to_chunk = 'energy'
         else:
@@ -196,6 +199,8 @@ def integrateImageStack_legacy(self,img_stack):
             if img_stack.__getattr__(indexes[0]).to_pandas().drop_duplicates().shape[0] != img_stack.__getattr__(indexes[0]).shape[0]:
                 warnings.warn(f'Axis {indexes[0]} contains duplicate conditions.  This is not supported and may not work.  Try adding additional coords to separate image conditions',stacklevel=2)
             data_int = data.groupby(indexes[0],squeeze=False).progress_apply(self.integrateSingleImage)
+        elif len(indexes) == 0:
+            data_int = self.integrateSingleImage(data).isel(image_num=0)
         else:
             #some kinda logic to check for existing multiindexes and stack into them appropriately maybe
             data = data.stack({'pyhyper_internal_multiindex':indexes})

src/PyHyperScattering/PFGeneralIntegrator.py

@@ -214,9 +214,9 @@ def integrateImageStack_legacy(self, data):
         indexes.remove('pix_y')
 
         if len(indexes) == 1:
-            data_int = data.groupby(indexes[0], squeeze=False).progress_map(
-                self.integrateSingleImage
-            )
+            data_int = data.groupby(indexes[0],squeeze=False).progress_map(self.integrateSingleImage)
+        elif len(indexes) == 0:
+            data_int = self.integrateSingleImage(data).isel(image_num=0)
         else:
             # some kinda logic to check for existing multiindexes and stack into them appropriately maybe
             data = data.stack({'pyhyper_internal_multiindex': indexes})
@@ -545,7 +545,11 @@ def calibrationFromTemplateXRParams(self, raw_xr):
         self.rot3 = raw_xr.rot3
 
         self.pixel1 = raw_xr.pixel1
-        self.pixel2 = raw_xr.pixel2
+        self.pixel2 = raw_xr.pixel2        
+        try:
+            self.energy = float(raw_xr.energy)
+        except TypeError:
+            pass
 
         if self.mask is None:
             self.mask = np.zeros((len(raw_xr.pix_y), len(raw_xr.pix_x)))