Changeset 4859

Timestamp:

Mar 20, 2021 9:15:07 AM (3 years ago)

Author:

vondreele

Message:

use new symmetry constraint scheme in MakeRBParms

File:

• trunk/GSASIIstrIO.py (modified) (2 diffs)

trunk/GSASIIstrIO.py

@@ -1375 +1375 @@
         Sytsym = G2spc.SytSym(RB['Orig'][0],SGData)[0]
         xId,xCoef = G2spc.GetCSxinel(Sytsym) # gen origin site sym 
-        equivs = [[],[],[]]
+        equivs = {1:[],2:[],3:[]}
         for i in range(3):
             name = pfxRB+pstr[i]+':'+str(iRB)+':'+rbid
@@ -1382 +1382 @@
                 if xId[i] > 0:                               
                     phaseVary += [name,]
-                    equivs[xId[i]-1].append([name,xCoef[i]])
+                    equivs[xId[i]].append([name,xCoef[i]])
                 elif symHold is not None: #variable is held due to symmetry
                     symHold.append(name)
         for equiv in equivs:
             if len(equiv) > 1:
-                name = equiv[0][0]
-                coef = equiv[0][1]
-                for eqv in equiv[1:]:
+                name = equivs[equiv][0][0]
+                coef = equivs[equiv][0][1]
+                for eqv in equivs[equiv][1:]:
                     eqv[1] /= coef
                     G2mv.StoreEquivalence(name,(eqv,))