Changeset 4531 for trunk

Timestamp:

Jul 21, 2020 12:41:16 PM (3 years ago)

Author:

vondreele

Message:

remove q-plot & d-plot options for Limits PWDR plot
some cleanup in mag inncom. sf cal

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (2 diffs)
• GSASIIlattice.py (modified) (1 diff)
• GSASIIplot.py (modified) (9 diffs)
• GSASIIstrMath.py (modified) (2 diffs)

trunk/GSASIIdataGUI.py

@@ -4855 +4855 @@
                     if Phase['Histograms'][hist]['Use'] and phase not in Phases:
                         Phases[phase] = Phase
-                    if hist not in Histograms and Phase['Histograms'][hist]['Use']:
+                    if (hist not in Histograms) and Phase['Histograms'][hist]['Use']:
                         if hist not in histIdList:
                             if badnum == 0:
@@ -8678 +8678 @@
         data = G2frame.GPXtree.GetItemPyData(item)
         G2pdG.UpdateLimitsGrid(G2frame,data,datatype)
-        G2plt.PlotPatterns(G2frame,plotType=datatype)
+        G2plt.PlotPatterns(G2frame,plotType=datatype,newPlot=True)
     elif G2frame.GPXtree.GetItemText(item) == 'Instrument Parameters':
         G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)

trunk/GSASIIlattice.py

@@ -854 +854 @@
     def func(d,pos,Inst):        
         return (pos-Inst['difA'][1]*d**2-Inst['Zero'][1]-Inst['difB'][1]/d)/Inst['difC'][1]
-    dsp0 = np.ones_like(Pos)
+    dsp0 = Pos/Inst['difC'][1]
     N = 0
     while True:      #successive approximations

trunk/GSASIIplot.py

@@ -1858 +1858 @@
             wx.CallAfter(G2gd.UpdatePWHKPlot,G2frame,plottype,G2frame.PatternId)
             return
-        elif event.key == 'q': 
+        elif event.key == 'q' and not ifLimits: 
             newPlot = True
             if 'PWDR' in plottype:
@@ -1867 +1867 @@
             elif plottype in ['SASD','REFD']:
                 Page.plotStyle['sqPlot'] = not Page.plotStyle['sqPlot']
-        elif event.key == 't' and 'PWDR' in plottype:
+        elif event.key == 't' and 'PWDR' in plottype and not ifLimits:
             if G2frame.Contour:
                 G2frame.TforYaxis = not G2frame.TforYaxis
@@ -2733 +2733 @@
     Page.tickDict = {}
     DifLine = ['']
+    PickId = G2frame.PickId
+    PatternId = G2frame.PatternId
+    ifLimits = False
+    if G2frame.GPXtree.GetItemText(PickId) == 'Limits':
+        ifLimits = True
+        Page.plotStyle['qPlot'] = False
+        Page.plotStyle['dPlot'] = False
     if G2frame.Contour:
         Page.Choice = (' key press','b: toggle subtract background',
@@ -2749 +2756 @@
             else:
                 Page.Choice += ['o: add obs, calc,... to legend',]
-            Page.Choice += ['q: toggle q plot','s: toggle sqrt plot',
-                't: toggle d-spacing plot','w: toggle (Io-Ic)/sig plot',
-                '+: no selection']
+            if ifLimits:
+                Page.Choice += ['s: toggle sqrt plot','w: toggle (Io-Ic)/sig plot',
+                    '+: no selection']
+            else:
+                Page.Choice += ['q: toggle q plot','s: toggle sqrt plot',
+                    't: toggle d-spacing plot','w: toggle (Io-Ic)/sig plot',
+                    '+: no selection']
             if Page.plotStyle['sqrtPlot'] or Page.plotStyle['logPlot']:
                 del Page.Choice[1]
@@ -2779 +2790 @@
     G2frame.cid = None
     Page.keyPress = OnPlotKeyPress    
-    PickId = G2frame.PickId
-    PatternId = G2frame.PatternId
     try:
         colors = GSASIIpath.GetConfigValue('Plot_Colors').split()
@@ -2867 +2876 @@
     if G2frame.SubBack:
         Title += ' - background'
-    if Page.plotStyle['qPlot'] or plottype in ['SASD','REFD'] and not G2frame.Contour:
+    if Page.plotStyle['qPlot'] or plottype in ['SASD','REFD'] and not G2frame.Contour and not ifLimits:
         xLabel = r'$Q, \AA^{-1}$'
-    elif Page.plotStyle['dPlot'] and 'PWDR' in plottype and not G2frame.Contour:
+    elif Page.plotStyle['dPlot'] and 'PWDR' in plottype and not G2frame.Contour and not ifLimits:
         xLabel = r'$d, \AA$'
     else:
@@ -2943 +2952 @@
             if not G2frame.Contour:
                 xye0 = ma.masked_outside(xye[0],limits[1][0],limits[1][1],copy=False)            #now mask for limits
-        if Page.plotStyle['qPlot'] and 'PWDR' in plottype:
+        if Page.plotStyle['qPlot'] and 'PWDR' in plottype and not ifLimits:
             X = 2.*np.pi/G2lat.Pos2dsp(Parms,xye0)
-        elif Page.plotStyle['dPlot'] and 'PWDR' in plottype:
+        elif Page.plotStyle['dPlot'] and 'PWDR' in plottype and not ifLimits:
             X = G2lat.Pos2dsp(Parms,xye0)
         else:
@@ -3029 +3038 @@
             limits = np.array(G2frame.GPXtree.GetItemPyData(LimitId))
             lims = limits[1]
-            if Page.plotStyle['qPlot'] and 'PWDR' in plottype:
+            if Page.plotStyle['qPlot'] and 'PWDR' in plottype and not ifLimits:
                 lims = 2.*np.pi/G2lat.Pos2dsp(Parms,lims)
-            elif Page.plotStyle['dPlot'] and 'PWDR' in plottype:
+            elif Page.plotStyle['dPlot'] and 'PWDR' in plottype and not ifLimits:
                 lims = G2lat.Pos2dsp(Parms,lims)
             Lines.append(Plot.axvline(lims[0],color='g',dashes=(5,5),picker=3.))    
@@ -3626 +3635 @@
                 datnum += 1
                 fp.write("@type xy\n")
+#                fp.write("-1 -1\n".format(x,y))
                 fp.write("-1 -1\n")
-                fp.write("&\n")
                 fp.write(linedef1.format(
                     "s"+str(datnum),glbl,gc,float(plotOpt['tickSiz'])/8.,mkwid))

trunk/GSASIIstrMath.py

@@ -1607 +1607 @@
             HM = np.inner(uAmat,HP.T)                    #put into cartesian space X||H,Z||H*L; uAmat better than uBmat
             eM = (HM/np.sqrt(np.sum(HM**2,axis=0))).T    # normalize  HP  Nref,hkl=Unit vectors || Q
-#            eDotK = np.sum(eM[:,nxs,nxs,nxs,:]*Kdata[nxs,:,:,:,:],axis=-1)
-#            QC = eM[:,nxs,nxs,nxs,:]*eDotK[:,:,:,:,nxs]-Kdata[nxs,:,:,:,:] #Nref,Ntau,Nop,Natm,xyz; Cartesian
-#            Q = np.inner(QC,uBmat.T)    #crystal space; Nref,Ntau,Nop,Natm,xyz .T?
 
             fam0 = 0.
@@ -1623 +1620 @@
                 H[3,i]*MmodB*cosm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Nref,Ntau,Nops,Natm,Mxyz
 
-            if not SGData['SGGray']:
+            if not SGData['SGGray']:            
                 fams += fam0[:,nxs,:,:,:]
                 fbms += fbm0[:,nxs,:,:,:]