Changeset 1025 for trunk/GSASIIstrMath.py

Timestamp:

Aug 12, 2013 11:22:30 AM (9 years ago)

Author:

vondreele

Message:

fix excluded region problems

File:

• trunk/GSASIIstrMath.py (modified) (4 diffs)

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]