Changeset 2945 for branch/2frame

Timestamp:

Jul 27, 2017 3:03:15 PM (8 years ago)

Author:

vondreele

Message:

 

Location:

branch/2frame

Files:

• GSASIImath.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIplot.py (modified) (5 diffs)

branch/2frame/GSASIImath.py ¶

@@ -3894 +3894 @@
     def __init__(self):
         self.dwell = 20
-        self.lower = -10
-        self.upper = 10
+        self.lower = 0.
+        self.upper = 1.
         self.Ninit = 50
         self.accepted = 0

branch/2frame/GSASIIphsGUI.py ¶

@@ -7786 +7786 @@
                     print ' MC/SA run completed: %d residual: %.3f%% SFcalc time: %.2fs Nsfcalc: %d'%(i,100*Result[2],tsum,nsum)
                     tsf += tsum
-                print ' Structure factor time: %.2f'%(tsf)
+                print ' Total SF time: %.2fs'%(tsf)
                 XY = np.mgrid[0:rcov.shape[0],0:rcov.shape[1]]
-                G2plt.PlotXYZ(G2frame,XY,rcov,labelX='ref No.',labelY='ref No.',newPlot=False,Title='Reflection covariance matrix')
+                G2plt.PlotXYZ(G2frame,XY,rcov,labelX='ref No.',labelY='ref No.',newPlot=False,
+                    Title='Reflection covariance matrix',zrange=[-1.,1.],color='RdYlGn')
             else:
                 nprocs = GSASIIpath.GetConfigValue('Multiprocessing_cores')
                 Results,sftime,numsf = G2mth.MPmcsaSearch(nCyc,data,RBdata,reflType,reflData,covData,nprocs)
                 MCSAdata['Results'] += Results   #+= to  any saved ones
-            print ' Total SF time: %.2f MC/SA run time: %.2f Nsfcalc: %d'%(sftime,time.time()-time1,numsf)
+                print ' Total SF time: %.2fs MC/SA run time: %.2fs Nsfcalc: %d'%(sftime,time.time()-time1,numsf)
         finally:
             if process == 'single':

branch/2frame/GSASIIplot.py ¶

@@ -2973 +2973 @@
 ################################################################################
             
-def PlotXYZ(G2frame,XY,Z,labelX='X',labelY='Y',newPlot=False,Title=''):
+def PlotXYZ(G2frame,XY,Z,labelX='X',labelY='Y',newPlot=False,Title='',zrange=None,color=None):
     '''simple contour plot of xyz data
     
@@ -2983 +2983 @@
     :param bool newPlot: =True if new plot is to be made
     :param str Title: title for plot
+    :param list zrange: [zmin,zmax]; default=None to use limits in Z
+    :param str color: one of mpl.cm.dated.keys(); default=None to use G2frame.ContourColor
     :returns: nothing
     
@@ -3014 +3016 @@
                 G2frame.ContourColor = choice[sel]
             else:
-                G2frame.ContourColor = GSASIIpath.GetConfigValue('Contour_color','Paired')
+                G2frame.ContourColor = GSASIIpath.GetConfigValue('Contour_color','RdYlGn')
             dlg.Destroy()
         wx.CallAfter(PlotXYZ,G2frame,XY,Z,labelX,labelY,False,Title)
@@ -3054 +3056 @@
     Ymin = np.min(XY.T[0])
     Ymax = np.max(XY.T[0])
-    Dx = 0.5*(Xmax-Xmin)/Nxy[0]
-    Dy = 0.5*(Ymax-Ymin)/Nxy[1]
+#    Dx = 0.5*(Xmax-Xmin)/Nxy[0]
+#    Dy = 0.5*(Ymax-Ymin)/Nxy[1]
     Plot.set_title(Title)
     if labelX:
@@ -3065 +3067 @@
     else:
         Plot.set_ylabel(r'Y',fontsize=14)
-    acolor = mpl.cm.get_cmap(G2frame.ContourColor)
+    if color is None:
+        acolor = mpl.cm.get_cmap(G2frame.ContourColor)
+    else:
+        acolor = mpl.cm.get_cmap(color)
+    if zrange is None:
+        zrange=[0,Zmax*G2frame.Cmax]
     Img = Plot.imshow(Z.T,cmap=acolor,interpolation=G2frame.Interpolate,origin='lower', \
-        aspect='equal',extent=[Xmin,Xmax,Ymin,Ymax],vmin=0,vmax=Zmax*G2frame.Cmax)
-#        aspect='equal',extent=[Xmin-Dx,Xmax-Dx,Ymin+Dy,Ymax+Dy],vmin=0,vmax=Zmax*G2frame.Cmax)
+        aspect='equal',extent=[Xmin,Xmax,Ymin,Ymax],vmin=zrange[0],vmax=zrange[1])
     Page.figure.colorbar(Img)
     if not newPlot: