Changeset 5335

Timestamp:

Sep 18, 2022 11:02:46 AM (8 months ago)

Author:

toby

Message:

add MagCIF reading to scripting

File:

• trunk/GSASIIscriptable.py (modified) (3 diffs)

trunk/GSASIIscriptable.py

@@ -2360 +2360 @@
         return self.histogram(histname)
     
-    def add_phase(self, phasefile, phasename=None, histograms=[], fmthint=None):
+    def add_phase(self, phasefile, phasename=None, histograms=[],
+                      fmthint=None, mag=False):
         """Loads a phase into the project from a .cif file
 
@@ -2372 +2373 @@
           importers consistent with the file extension will be tried
           (equivalent to "guess format" in menu).
+        :param bool mag: Set to True to read a magCIF
 
         :returns: A :class:`G2Phase` object representing the
@@ -2384 +2386 @@
         phasereader = phasereaders[0]
         
-        phasename = phasename or phasereader.Phase['General']['Name']
+        if phasereader.MPhase and mag:
+            phObj = phasereader.MPhase
+        else:
+            phObj = phasereader.Phase
+            
+        phasename = phasename or phObj['General']['Name']
         phaseNameList = [p.name for p in self.phases()]
         phasename = G2obj.MakeUniqueLabel(phasename, phaseNameList)
-        phasereader.Phase['General']['Name'] = phasename
+        phObj['General']['Name'] = phasename
 
         if 'Phases' not in self.data:
             self.data[u'Phases'] = { 'data': None }
         assert phasename not in self.data['Phases'], "phase names should be unique"
-        self.data['Phases'][phasename] = phasereader.Phase
+        self.data['Phases'][phasename] = phObj
 
         # process constraints, currently generated only from ISODISTORT CIFs