Changeset 3353

Timestamp:

Apr 20, 2018 2:08:08 PM (5 years ago)

Author:

vondreele

Message:

remove call to paint after selecting all atoms. (paint cleared selection!)
fix perspective issue in powder waterfall plots

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIplot.py (modified) (7 diffs)
• GSASIIstrMath.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -2416 +2416 @@
                 for row in range(Atoms.GetNumberRows()):
                     Atoms.SelectRow(row,True)                   
-                wx.CallAfter(Paint)
                 return
             if r < 0:                          #double click on col label! Change all atoms!

trunk/GSASIIplot.py

@@ -2453 +2453 @@
             SampleList.append(G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,
                 id, 'Sample Parameters')))
+        if not G2frame.Contour:
+            PlotList.reverse()
+            ParmList.reverse()
+            SampleList.reverse()
     lenX = 0
     Ymax = None
@@ -2520 +2524 @@
         ContourY = []
         Nseq = 0
+    Nmax = len(PlotList)-1
     for N,Pattern in enumerate(PlotList):
         Parms = ParmList[N]
@@ -2525 +2530 @@
         ifpicked = False
         LimitId = 0
+        NoffY = offsetY*(Nmax-N)
         if Pattern[1] is None: continue # skip over uncomputed simulations
         xye = np.array(ma.getdata(Pattern[1])) # strips mask
@@ -2606 +2612 @@
             elif 'PWDR' in plottype and G2frame.SinglePlot and not (
                 G2frame.logPlot or G2frame.plotStyle['sqrtPlot'] or G2frame.Contour):
-                Y = xye[1]*multArray+bxye+offsetY*N*Ymax/100.0
+                Y = xye[1]*multArray+bxye+NoffY*Ymax/100.0
             else:
-                Y = xye[1]+bxye+offsetY*N*Ymax/100.0
+                Y = xye[1]+bxye+NoffY*Ymax/100.0
         elif plottype in ['SASD','REFD']:
             if plottype == 'SASD':
@@ -2615 +2621 @@
                 B = np.zeros_like(xye[5])
             if G2frame.plotStyle['sqPlot']:
-                Y = xye[1]*Sample['Scale'][0]*(1.05)**(offsetY*N)*X**4
+                Y = xye[1]*Sample['Scale'][0]*(1.05)**NoffY*X**4
             else:
-                Y = xye[1]*Sample['Scale'][0]*(1.05)**(offsetY*N)
+                Y = xye[1]*Sample['Scale'][0]*(1.05)**NoffY
         if LimitId and ifpicked:
             limits = np.array(G2frame.GPXtree.GetItemPyData(LimitId))
@@ -2661 +2667 @@
                     if 'PWDR' in plottype and G2frame.SinglePlot and not (
                         G2frame.logPlot or G2frame.plotStyle['sqrtPlot'] or G2frame.Contour):
-                        Z = xye[3]*multArray+offsetY*N*Ymax/100.0
+                        Z = xye[3]*multArray+NoffY*Ymax/100.0
                     else:
-                        Z = xye[3]+offsetY*N*Ymax/100.0
+                        Z = xye[3]+NoffY*Ymax/100.0
                 if 'PWDR' in plottype:
                     if G2frame.plotStyle['sqrtPlot']:
@@ -2672 +2678 @@
                     elif 'PWDR' in plottype and G2frame.SinglePlot and not (
                         G2frame.logPlot or G2frame.plotStyle['sqrtPlot'] or G2frame.Contour):
-                        W = xye[4]*multArray+offsetY*N*Ymax/100.0
+                        W = xye[4]*multArray+NoffY*Ymax/100.0
                         D = multArray*xye[5]-Pattern[0]['delOffset']  #powder background
                     else:
-                        W = xye[4]+offsetY*N*Ymax/100.0
+                        W = xye[4]+NoffY*Ymax/100.0
                         D = xye[5]-Pattern[0]['delOffset']  #powder background
                 elif plottype in ['SASD','REFD']:

trunk/GSASIIstrMath.py

@@ -1090 +1090 @@
     mSize = len(Mdata)
     Mag = np.sqrt(np.array([np.inner(mag,np.inner(mag,GS)) for mag in Gdata.T]))
-    dGdM = np.repeat(Gdata[:,nxs,:],Nops,axis=1)
+    dGdM = np.array([np.inner(mag,GS) for mag in Gdata.T]).T/Mag
     
     Gdata = np.inner(Gdata.T,SGMT).T            #apply sym. ops.
@@ -1158 +1158 @@
 #        dqmx2 = np.sum(dqmx,axis=1)   #matrix * vector = vector
 #        dqmx1 = np.swapaxes(np.swapaxes(np.inner(dqdm.T,dGdm.T),0,1),2,3)
-        dmx = (NQ*Q*dGdM[:,nxs,:,:])/Mag        #just use dpdM term & ignore dqdM term(small)
+        dmx = (NQ*Q*dGdM[:,nxs,nxs,:])        #just use dpdM term & ignore dqdM term(small)
 #        dmx = (NQ*Q*dGdM[:,nxs,:,:]-Q*dqmx2)/Mag