Changeset 1098 for trunk/GSASIIplot.py

Timestamp:

Oct 10, 2013 11:23:12 AM (9 years ago)

Author:

vondreele

Message:

improve torsion & Ramachandran restraint plots - use picker to identify atoms

File:

• trunk/GSASIIplot.py (modified) (10 diffs)

trunk/GSASIIplot.py

@@ -1855 +1855 @@
     X = np.linspace(0.,360.,num=45)
     
+    def OnPick(event):
+        ind = event.ind[0]
+        msg = 'atoms:'+names[ind]
+        Page.canvas.SetToolTipString(msg)
+    
     def OnMotion(event):
         if event.xdata and event.ydata:                 #avoid out of frame errors
@@ -1861 +1866 @@
             msg = 'torsion,energy: %5.3f %5.3f'%(xpos,ypos)
             Page.canvas.SetToolTipString(msg)
-            G2frame.G2plotNB.status.SetFields(['',msg])
-            if len(Angles):
-                fX = np.where(np.fabs(Angles-xpos)<1.0)[0]
-                if len(fX):
-                    msg = 'atoms:'+names[fX[0]-1]
-                    Page.canvas.SetToolTipString(msg)                    
 
     try:
@@ -1879 +1878 @@
         plotNum = G2frame.G2plotNB.plotList.index('Torsion')
         Page = G2frame.G2plotNB.nb.GetPage(plotNum)
+        Page.canvas.mpl_connect('pick_event', OnPick)
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
     
     Page.SetFocus()
-    G2frame.G2plotNB.status.SetFields(['',''])
+    G2frame.G2plotNB.status.SetFields(['','Use mouse LB to identify torsion atoms'])
     Plot.plot(X,torsion,'b+')
     if len(Coeff):
@@ -1890 +1890 @@
     if len(Angles):
         Eval = np.array([-G2mth.calcTorsionEnergy(x,Coeff)[1] for x in Angles])
-        Plot.plot(Angles,Eval,'ro')
+        Plot.plot(Angles,Eval,'ro',picker=5)
     Plot.set_xlim((0.,360.))
     Plot.set_title('Torsion angles for '+TorName+' in '+phaseName)
@@ -1927 +1927 @@
         PlotRama(G2frame,phaseName,Rama)
 
+    def OnPick(event):
+        ind = event.ind[0]
+        msg = 'atoms:'+names[ind]
+        Page.canvas.SetToolTipString(msg)
+
     def OnMotion(event):
         if event.xdata and event.ydata:                 #avoid out of frame errors
@@ -1933 +1938 @@
             msg = 'phi/psi: %5.3f %5.3f'%(xpos,ypos)
             Page.canvas.SetToolTipString(msg)
-            G2frame.G2plotNB.status.SetFields(['',msg])
-            if len(Phi):
-                fPhi = np.where(np.fabs(Phi-xpos)<1.0)[0]
-                fPsi = np.where(np.fabs(Psi-ypos)<1.0)[0]
-                if len(fPhi) and len(fPsi) and fPhi[0] == fPsi[0]:
-                    msg = 'atoms:'+names[fPhi[0]-1]
-                    Page.canvas.SetToolTipString(msg)
             
     try:
@@ -1952 +1950 @@
         plotNum = G2frame.G2plotNB.plotList.index('Ramachandran')
         Page = G2frame.G2plotNB.nb.GetPage(plotNum)
+        Page.canvas.mpl_connect('pick_event', OnPick)
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
         Page.canvas.mpl_connect('key_press_event', OnPlotKeyPress)
@@ -1958 +1957 @@
     Page.keyPress = OnPlotKeyPress
     Page.SetFocus()
-    G2frame.G2plotNB.status.SetFields(['',''])    
+    G2frame.G2plotNB.status.SetFields(['','Use mouse LB to identify phi/psi atoms'])
     acolor = mpl.cm.get_cmap(G2frame.RamaColor)
     if RamaName == 'All' or '-1' in RamaName:
@@ -1971 +1970 @@
             Phi = np.where(Phi>180.,Phi-360.,Phi)
             Psi = np.where(Psi>180.,Psi-360.,Psi)
-            Plot.plot(Phi,Psi,'ro',picker=3)
+            Plot.plot(Phi,Psi,'ro',picker=5)
         Plot.set_xlim((-180.,180.))
         Plot.set_ylim((-180.,180.))
@@ -1983 +1982 @@
         if len(PhiPsi):
             Phi,Psi = PhiPsi.T
-            Plot.plot(Phi,Psi,'ro',picker=3)
+            Plot.plot(Phi,Psi,'ro',picker=5)
         Plot.set_xlim((0.,360.))
         Plot.set_ylim((0.,360.))