Changeset 3946 for trunk/GSASIIplot.py

Timestamp:

May 2, 2019 2:51:39 PM (4 years ago)

Author:

vondreele

Message:

correction to contouring for cells out side reference; needed a %1. on XYZ(XYZT)

File:

• trunk/GSASIIplot.py (modified) (4 diffs)

trunk/GSASIIplot.py

@@ -117 +117 @@
 import numpy.ma as ma
 import numpy.linalg as nl
+from scipy.ndimage.interpolation import map_coordinates
 # Don't depend on wx/matplotlib for scriptable
 try:
@@ -7712 +7713 @@
         neqv = 0
         for xyz,atyp in zip(XYZs,Types):
-            equiv = G2spc.GenAtom(xyz,SGData,All=True,Move=False)
+            equiv = list(G2spc.GenAtom(xyz,SGData,All=True,Move=False))
             neqv = max(neqv,len(equiv))
             for item in equiv:
@@ -8893 +8894 @@
                 return
             Rmax = np.max(rho)*drawingData['contourMax']
-            from scipy.ndimage.interpolation import map_coordinates
             from matplotlib.backends.backend_agg import FigureCanvasAgg
             import matplotlib.pyplot as plt
@@ -8907 +8907 @@
             if FourD:
                 SXYZT = np.vstack((SXYZ.T,np.inner(SXYZ,modQ)+G2frame.tau)).T
-                Z = np.reshape(map_coordinates(rho4D,(SXYZT*rho4D.shape).T,order=1,mode='wrap'),(npts,npts))
+                Z = np.reshape(map_coordinates(rho4D,(SXYZT%1.*rho4D.shape).T,order=1,mode='wrap'),(npts,npts))
             else:
-                Z = np.reshape(map_coordinates(rho,(SXYZ*rho.shape).T,order=1,mode='wrap'),(npts,npts))
+                Z = np.reshape(map_coordinates(rho,(SXYZ%1.*rho.shape).T,order=1,mode='wrap'),(npts,npts))
             Z = np.where(Z<=Rmax,Z,Rmax)
             plt.rcParams['figure.facecolor'] = (1.,1.,1.,.5)