add scriptng routine for testing shifts

Author: briantoby

GSASII/GSASIIscriptable.py

@@ -3215,6 +3215,25 @@ def get_ParmList(self):
         except:
             return
 
+    def get_LastFitResults(self):
+        '''Returns the shifts on refined variables and their uncertainties in the last refinement cycle
+
+        :returns: a dict with the last least-squares shifts and a dict of sigma values.
+        '''
+        if 'Lastshft' not in self['Covariance']['data']:
+            raise G2ScriptException('No shift values found in project, has a refinement been run?')
+        if 'varyList' not in self['Covariance']['data']:
+            raise G2ScriptException('No varyList found in project, has a refinement been run?')
+        if 'sig' not in self['Covariance']['data']:
+            raise G2ScriptException('No sigma values found in project, has a refinement been run?')
+        try:
+            return (
+                dict(zip(self['Covariance']['data']['varyList'],self['Covariance']['data']['Lastshft'].tolist())),
+                dict(zip(self['Covariance']['data']['varyList'],self['Covariance']['data']['sig'].tolist()))
+                )
+        except:
+            return None,None
+
     def get_Variable(self,var):
         '''Returns the value and standard uncertainty (esd) for a variable
         parameters, as defined in the last refinement cycle

docs/source/GSASIIscriptable.rst

@@ -307,6 +307,7 @@ method                                                                  Use
 :meth:`~GSASIIscriptable.G2Project.set_Controls`                        Set overall GSAS-II control settings such as number of cycles and to set parameter limits.
                                                                         This is also used to set up a sequential
                                                                         fit. (Also see :meth:`~GSASIIscriptable.G2Project.get_Controls` to read values.)
+:meth:`~GSASIIscriptable.G2Project.get_LastFitResults`                  Retrieves the shifts and sigma values from the last least-squares cycle
 :meth:`~GSASIIscriptable.G2Project.imageMultiDistCalib`                 Performs a global calibration fit with images at multiple distance settings.
 :meth:`~GSASIIscriptable.G2Project.get_Constraints`                     Retrieves :ref:`constraint definition <Constraint_definitions_table>` entries.
 :meth:`~GSASIIscriptable.G2Project.add_HoldConstr`                      Adds a hold constraint on one or more variables