Changeset 2319

Timestamp:

Jun 14, 2016 6:17:31 AM (5 years ago)

Author:

vondreele

Message:

remove stray print & add \n to Dist argument for better column heading
fix symm problem in CalcDist? for seq distances

Location:

trunk

Files:

• GSASIIgrid.py (modified) (2 diffs)
• GSASIImath.py (modified) (1 diff)

trunk/GSASIIgrid.py

@@ -2766 +2766 @@
             
     def AddNewDistPseudoVar(event):
-        print 'Add bond distance pseudo-variable here - TBD'
         obj = None
         dlg = G2exG.BondDialog(
@@ -2796 +2795 @@
                 # create an expression object
                 obj = G2obj.ExpressionObj()
-                obj.expression = 'Dist(%s,%s)'%(Oatom,Tatom.split(' d=')[0].replace(' ',''))
+                obj.expression = 'Dist(%s,\n%s)'%(Oatom,Tatom.split(' d=')[0].replace(' ',''))
                 obj.distance_dict = {'pId':pId,'SGData':SGData,'symNo':symNo,'cellNo':cellNo}
                 obj.distance_atoms = [oId,tId]

trunk/GSASIImath.py

@@ -1522 +1522 @@
     op = symNo%100-1
     M,T = distance_dict['SGData']['SGOps'][op]
-    M *= inv
-    T *= inv
-    D = T+distance_dict['SGData']['SGCen'][cen]
+    D = T*inv+distance_dict['SGData']['SGCen'][cen]
     D += distance_dict['cellNo']
-    Txyz = np.inner(M,Txyz)+D
+    Txyz = np.inner(M*inv,Txyz)+D
     dist = np.sqrt(np.sum(np.inner(Amat,(Txyz-Oxyz))**2))
 #    GSASIIpath.IPyBreak()