Changeset 4084

Timestamp:

Aug 9, 2019 9:34:13 AM (4 years ago)

Author:

vondreele

Message:

fixes to SHAPES results table
fix remaining plot amnesia problems

Location:

trunk

Files:

• G2shapes.py (modified) (1 diff)
• GSASIIplot.py (modified) (13 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)

trunk/G2shapes.py

@@ -21 +21 @@
 # this version modified by R B. Von Dreele for inclusion in GSAS-II
 
+from __future__ import division, print_function
 import math
 import sys

trunk/GSASIIplot.py

@@ -1026 +1026 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         Page.canvas.mpl_connect('button_press_event', OnSCPress)
@@ -1272 +1272 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         newPlot = True
@@ -4802 +4802 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         newPlot = True
@@ -4963 +4963 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         newPlot = True
@@ -5058 +5058 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         newPlot = True
@@ -5186 +5186 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         newPlot = True
@@ -5228 +5228 @@
         elif 'Pair' in PlotText:
             PlotSASDPairDist(G2frame)
-            
     
     def OnMotion(event):
@@ -5301 +5300 @@
     Plot.set_ylabel(r'$Pair\ distribution,\ P(R)$',fontsize=14)
     Plot.bar(Bins-Dbins,BinMag,Dbins,facecolor='white',edgecolor='green')       #plot diameters
-    colors=['b','r','c','m','k']
+    if 'Pair Calc' in data['Pair']:
+        [Rbins,Dist] = data['Pair']['Pair Calc'].T
+        Plot.plot(Rbins,Dist,color='r')       #plot radii
     Page.canvas.draw()
 
@@ -5433 +5434 @@
     if not new:
         if not G2frame.G2plotNB.allowZoomReset: # save previous limits
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
@@ -7686 +7687 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
@@ -7741 +7742 @@
     if not new:
         if not newPlot:
-            xylim = lim
+            xylim = copy.copy(lim)
     else:
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
@@ -9267 +9268 @@
         GL.glTranslate(x,y,z)
         q = GLU.gluNewQuadric()
-        GLU.gluSphere(q,radius,20,10)
+        GLU.gluSphere(q,radius,40,20)
         GL.glPopMatrix()
         
@@ -9299 +9300 @@
         for iat,atom in enumerate(XYZ):
             x,y,z = atom
-            color = (144,144,144)
+            color = np.array([144,144,144])/255.
             RenderSphere(x,y,z,radius,color)
         try:

trunk/GSASIIpwdGUI.py

@@ -5658 +5658 @@
         def OnShapeSelect(event):
             r,c =  event.GetRow(),event.GetCol()
-            shapeTable.SetValue(r,c,False)
+            for i in [1,2]:
+                for j in range(len(Patterns)):
+                    shapeTable.SetValue(j,i,False)
+            shapeTable.SetValue(r,c,True)
+            ShapesResult.ForceRefresh()
             selAtoms = Atoms[2*r+(c-1)]
             pattern = Patterns[r]
-            PRvals = PRcalc[r]
+            data['Pair']['Pair Calc'] = np.array([PRcalc[r][0],PRcalc[r][2]]).T
             print('%s %d'%('num. beads',len(selAtoms[1])))
             print('%s %.3f'%('selected r value',pattern[-1]))
-            print('%s %.3f'%('selected Delta P(r)',PRvals[-1]))
+            print('%s %.3f'%('selected Delta P(r)',PRcalc[r][-1]))
             G2plt.PlotSASDPairDist(G2frame)
             RefreshPlots(True)
@@ -5719 +5723 @@
             tableVals = []
             for i in range(len(Patterns)):
-                tableVals.append([Atoms[2*i][0],False,False,Patterns[i][-1],PRcalc[i][-1],len(Atoms[2*1][1]),len(Atoms[2*i+1][1])])
+                tableVals.append([Atoms[2*i][0],False,False,Patterns[i][-1],PRcalc[i][-1],len(Atoms[2*i][1]),len(Atoms[2*i+1][1])])
             shapeTable = G2G.Table(tableVals,rowLabels=rowLabels,colLabels=colLabels,types=Types)
             ShapesResult = G2G.GSGrid(G2frame.dataWindow)
             ShapesResult.SetTable(shapeTable,True)
             ShapesResult.AutoSizeColumns(False)
-            ShapesResult.Bind(wg.EVT_GRID_CELL_CHANGED, OnShapeSelect)
+            ShapesResult.Bind(wg.EVT_GRID_CELL_LEFT_CLICK, OnShapeSelect)
             for r in range(len(Patterns)):
                 for c in range(7):