Changeset 1025

Timestamp:

Aug 12, 2013 11:22:30 AM (8 years ago)

Author:

vondreele

Message:

fix excluded region problems

Location:

trunk

Files:

• GSASIIplot.py (modified) (3 diffs)
• GSASIIstrIO.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (4 diffs)

trunk/GSASIIplot.py

@@ -391 +391 @@
     '''
     global HKL
-
-#    def OnKeyBox(event):
-#        if G2frame.G2plotNB.nb.GetSelection() == G2frame.G2plotNB.plotList.index('Powder Patterns'):
-#            event.key = cb.GetValue()[0]
-#            cb.SetValue(' key press')
-#            wx.CallAfter(OnPlotKeyPress,event)
-#                        
     global exclLines
     def OnPlotKeyPress(event):
@@ -622 +615 @@
                 else:
                     data[id][id2] = xpos
+                if id > 1 and data[id][0] > data[id][1]:
+                        data[id].reverse()
                 G2frame.PatternTree.SetItemPyData(LimitId,data)
                 if G2frame.PatternTree.GetItemText(G2frame.PickId) == 'Limits':
@@ -758 +753 @@
         ifpicked = False
         LimitId = 0
-        xye = ma.array(Pattern[1])
+        xye = ma.array(ma.getdata(Pattern[1]))
         if PickId:
             ifpicked = Pattern[2] == G2frame.PatternTree.GetItemText(PatternId)

trunk/GSASIIstrIO.py

@@ -283 +283 @@
                 except ValueError:
                     PWDRdata['wtFactor'] = 1.0          #patch
-                PWDRdata['Data'] = ma.array(datum[1][1])          #masked powder data arrays
+                PWDRdata['Data'] = ma.array(ma.getdata(datum[1][1]))          #masked powder data arrays/clear previous masks
                 PWDRdata[data[2][0]] = data[2][1]       #Limits & excluded regions (if any)
                 PWDRdata[data[3][0]] = data[3][1]       #Background

trunk/GSASIIstrMath.py

@@ -1316 +1316 @@
                 elif not iBeg-iFin:     #peak above high limit - done
                     break
-                yc[iBeg:iFin] += refl[13]*refl[9]*G2pwd.getFCJVoigt3(refl[5],refl[6],refl[7],shl,x[iBeg:iFin])    #>90% of time spent here
+                    
+                print refl[5],ma.count(x[iBeg:iFin]),iFin-iBeg,refl[13],refl[9]
+                yc[iBeg:iFin] += refl[13]*refl[9]*G2pwd.getFCJVoigt3(refl[5],refl[6],refl[7],shl,ma.getdata(x[iBeg:iFin]))    #>90% of time spent here
                 if Ka2:
                     pos2 = refl[5]+lamRatio*tand(refl[5]/2.0)       # + 360/pi * Dlam/lam * tan(th)
@@ -1326 +1328 @@
                     elif not iBeg-iFin:     #peak above high limit - done
                         return yc,yb
-                    yc[iBeg:iFin] += refl[13]*refl[9]*kRatio*G2pwd.getFCJVoigt3(pos2,refl[6],refl[7],shl,x[iBeg:iFin])        #and here
+                    yc[iBeg:iFin] += refl[13]*refl[9]*kRatio*G2pwd.getFCJVoigt3(pos2,refl[6],refl[7],shl,ma.getdata(x[iBeg:iFin]))        #and here
             elif 'T' in calcControls[hfx+'histType']:
                 print 'TOF Undefined at present'
@@ -1434 +1436 @@
                 lenBF = iFin-iBeg
                 dMdpk = np.zeros(shape=(6,lenBF))
-                dMdipk = G2pwd.getdFCJVoigt3(refl[5],refl[6],refl[7],shl,x[iBeg:iFin])
+                dMdipk = G2pwd.getdFCJVoigt3(refl[5],refl[6],refl[7],shl,ma.getdata(x[iBeg:iFin]))
                 for i in range(5):
                     dMdpk[i] += 100.*cw[iBeg:iFin]*refl[13]*refl[9]*dMdipk[i]
@@ -1445 +1447 @@
                         lenBF2 = iFin2-iBeg2
                         dMdpk2 = np.zeros(shape=(6,lenBF2))
-                        dMdipk2 = G2pwd.getdFCJVoigt3(pos2,refl[6],refl[7],shl,x[iBeg2:iFin2])
+                        dMdipk2 = G2pwd.getdFCJVoigt3(pos2,refl[6],refl[7],shl,ma.getdata(x[iBeg2:iFin2]))
                         for i in range(5):
                             dMdpk2[i] = 100.*cw[iBeg2:iFin2]*refl[13]*refl[9]*kRatio*dMdipk2[i]