Changeset 3247 for trunk/GSASIIplot.py

Timestamp:

Jan 29, 2018 9:34:15 AM (5 years ago)

Author:

vondreele

Message:

implement pick of protein validation bar - new view point on structure plot an N atom for selected residue
fix of non-gray modulated magnetic structures

File:

• trunk/GSASIIplot.py (modified) (6 diffs)

trunk/GSASIIplot.py

@@ -3232 +3232 @@
 ##### PlotHist
 ################################################################################
-def PlotAAProb(G2frame,resNames,Probs1,Probs2,Title='',thresh=None):
+def PlotAAProb(G2frame,resNames,Probs1,Probs2,Title='',thresh=None,pickHandler=None):
 
     def OnMotion(event):
@@ -3256 +3256 @@
             except TypeError:
                 G2frame.G2plotNB.status.SetStatusText('Select AA error plot first',1)
+                
+    def OnPick(event):
+        xpos = event.mouseevent.xdata
+        if xpos and pickHandler:
+            xpos = int(xpos+.5)
+            if 0 <= xpos < len(resNames):
+                resName = resNames[xpos]
+            else:
+                resName = ''
+            pickHandler(resName)
     
     def Draw():
@@ -3267 +3277 @@
         colors = list(np.where(np.array(Probs1)>thresh[0][1],'r','b'))
         resNums = np.arange(len(resNames))
-        Plot1.bar(resNums,Probs1,color=colors,linewidth=0)
+        Plot1.bar(resNums,Probs1,color=colors,linewidth=0,picker=1)
         if thresh is not None:
             for item in thresh[0]:
@@ -3275 +3285 @@
         Plot2.set_xlabel(r'Residue',fontsize=14)        
         colors = list(np.where(np.array(Probs2)>thresh[1][1],'r','b'))
-        Plot2.bar(resNums,Probs2,color=colors,linewidth=0)
+        Plot2.bar(resNums,Probs2,color=colors,linewidth=0,picker=1)
         if thresh is not None:
             for item in thresh[1]:
@@ -3283 +3293 @@
     
     new,plotNum,Page,Plot,lim = G2frame.G2plotNB.FindPlotTab(Title,'mpl')
-#        Page.canvas.mpl_connect('key_press_event', OnKeyPress)
+    Page.canvas.mpl_connect('pick_event', OnPick)
     Page.canvas.mpl_connect('motion_notify_event', OnMotion)
     Draw()
@@ -6812 +6822 @@
             elif atom[cs+1] == 'number':
                 RenderLabel(x,y,z,'  '+str(iat),radius,wxGreen,matRot)
-            elif atom[cs+1] == 'residue' and atom[ct-1] == 'CA':
+            elif atom[cs+1] == 'residue' and atom[ct-1] in ['CA','CA  A']:
                 RenderLabel(x,y,z,'  '+atom[ct-4],radius,wxGreen,matRot)
-            elif atom[cs+1] == '1-letter' and atom[ct-1] == 'CA':
+            elif atom[cs+1] == '1-letter' and atom[ct-1] in ['CA','CA  A']:
                 RenderLabel(x,y,z,'  '+atom[ct-3],radius,wxGreen,matRot)
-            elif atom[cs+1] == 'chain' and atom[ct-1] == 'CA':
+            elif atom[cs+1] == 'chain' and atom[ct-1] in ['CA','CA  A']:
                 RenderLabel(x,y,z,'  '+atom[ct-2],radius,wxGreen,matRot)
 #        glDisable(GL_BLEND)