Changeset 4879 for trunk

Timestamp:

Apr 10, 2021 4:33:39 PM (2 years ago)

Author:

toby

Message:

implement constraints in scriptable, part 2

Location:

trunk

Files:

• GSASIIscriptable.py (modified) (5 diffs)
• exports/G2export_CIF.py (modified) (1 diff)

trunk/GSASIIscriptable.py

@@ -116 +116 @@
 :meth:`G2Project.add_HoldConstr`                      Adds a hold constraint on one or more variables
 :meth:`G2Project.add_EquivConstr`                     Adds an equivalence constraint on two or more variables
+:meth:`G2Project.add_EqnConstr`                   Adds an equation-type constraint on two or more variables
 
 ==================================================    ===============================================================================================================
@@ -3065 +3066 @@
         self.add_constraint_raw(typ, constr)
 
-    def add_EquivEquation(self,total,varlist,multlist=[],reloadIdx=True):
+    def add_EqnConstr(self,total,varlist,multlist=[],reloadIdx=True):
         '''Set a constraint equation on a list of variables. 
 
@@ -3089 +3090 @@
         Example::
         
-            gpx.add_EquivEquation(1.0,('0::Ax:0','0::Ax:1'),[1,1])
+            gpx.add_EqnConstr(1.0,('0::Ax:0','0::Ax:1'),[1,1])
 
         '''
@@ -3097 +3098 @@
             self.index_ids()
         if len(varlist) < 2:
-            raise Exception('add_EquivEquation Error: varlist must have at least 2 variables')
+            raise Exception('add_EqnConstr Error: varlist must have at least 2 variables')
         try:
             float(total)
         except:
-            raise Exception('add_EquivEquation Error: total be a valid float')
+            raise Exception('add_EqnConstr Error: total be a valid float')
         constr = []
         typ_prev = None
@@ -3128 +3129 @@
         constr += [float(total), None, 'c']
         self.add_constraint_raw(typ, constr)
-            
+
+        
     def add_constraint_raw(self, cons_scope, constr):
         """Adds a constraint to the project.

trunk/exports/G2export_CIF.py

@@ -2150 +2150 @@
                 dlg.Destroy()
             # scan over histograms used in this phase for 
-            pId = self.Phases[phasenam]['pId']
-            for h in phasedict['Histograms']:
-                if not phasedict['Histograms'][h]['Use']: continue
-                hId = self.Histograms[h]['hId']
-                T = self.Histograms[h]['Sample Parameters']['Temperature']
+            #pId = self.Phases[phasenam]['pId']
+            #for h in phasedict['Histograms']:
+            #    if not phasedict['Histograms'][h]['Use']: continue
+            #    hId = self.Histograms[h]['hId']
+            #    T = self.Histograms[h]['Sample Parameters']['Temperature']
                 
         # check if temperature values & pressure are defaulted