Changeset 2326 for trunk/GSASIIobj.py

Timestamp:

Jun 15, 2016 9:21:13 PM (7 years ago)

Author:

vondreele

Message:

add more to angle calc

File:

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

trunk/GSASIIobj.py

@@ -1953 +1953 @@
         Adds the free parameter values to the parameter dict (parmDict).
         '''
-        if self.eObj.expression.startswith('Dist'):
+        if self.eObj.expression.startswith('Dist') or self.eObj.expression.startswith('Angle'):
             return
         self.fxnpkgdict = self.eObj.CheckVars()
@@ -2022 +2022 @@
         :param list parmDict: a dict of values some of which may be in use here
         '''
-        if self.eObj.expression.startswith('Dist'):
+        if self.eObj.expression.startswith('Dist') or self.eObj.expression.startswith('Angle'):
             self.parmDict = parmDict
             return
@@ -2051 +2051 @@
             #self.su = G2mth.CalcDistSu(self.eObj.distance_dict, self.eObj.distance_atoms, self.parmDict)
             return dist
+        elif self.eObj.expression.startswith('Angle'):
+            angle = 0
+            dist = G2mth.CalcAngle(self.eObj.angle_dict, self.eObj.angle_atoms, self.parmDict)
+            return angle
         if self.compiledExpr is None:
             raise Exception,"EvalExpression called before SetupCalc"