Changeset 835 for trunk/GSASIIplot.py

Timestamp:

Jan 17, 2013 2:05:19 PM (11 years ago)

Author:

vondreele

Message:

more work on rigid bodies
fixes for crash in selecting wavelengths

File:

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

trunk/GSASIIplot.py

@@ -3376 +3376 @@
 ################################################################################
 
-def PlotRigidBody(G2frame,rbType,rbData,defaults):
+def PlotRigidBody(G2frame,rbType,AtInfo,rbData,defaults):
     '''RB plotting package. Can show rigid body structures as balls & sticks
     '''
 
-    def FindBonds(XYZ,rbData):                    #uses numpy & masks - very fast even for proteins!
+    def FindBonds(XYZ):                    #uses numpy & masks - very fast even for proteins!
         import numpy.ma as ma
-        AtInfo = rbData['AtInfo']
         rbTypes = rbData['rbTypes']
         Radii = []
@@ -3410 +3409 @@
         for imag,mag in enumerate(rbData['VectMag']):
             XYZ += mag*rbData['rbVect'][imag]
-        Bonds = FindBonds(XYZ,rbData)
+        Bonds = FindBonds(XYZ)
     elif rbType == 'Residue':
         pass
@@ -3580 +3579 @@
         for iat,atom in enumerate(XYZ):
             x,y,z = atom
-            CL = rbData['AtInfo'][rbData['rbTypes'][iat]][1]
+            CL = AtInfo[rbData['rbTypes'][iat]][1]
             color = np.array(CL)/255.
             RenderSphere(x,y,z,radius,color)