Changeset 3765

Timestamp:

Dec 15, 2018 1:42:13 PM (5 years ago)

Author:

vondreele

Message:

allow a selected data copy of 'newLeBail' flag - facilitates sequential LeBail?
remove SawTooth? as modulation fxn - duplicates ZigZag?

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIspc.py (modified) (5 diffs)

trunk/GSASIIphsGUI.py

@@ -7043 +7043 @@
             copyNames = ['Scale','Extinction','Babinet','Flack','Twins','Fix FXU']
         else:  #PWDR  
-            copyNames = ['Scale','Pref.Ori.','Size','Mustrain','HStrain','Extinction','Babinet','LeBail','Fix FXU']
+            copyNames = ['Scale','Pref.Ori.','Size','Mustrain','HStrain','Extinction','Babinet','LeBail','newLeBail','Fix FXU']
         dlg = G2G.G2MultiChoiceDialog(G2frame,'Select which parameters to copy',
             'Select phase data parameters', copyNames)

trunk/GSASIIspc.py

@@ -2584 +2584 @@
         return A+B    
 
-    def posSawtooth(tau,Toff,slopes):
-        Tau = (tau-Toff)%1.
-        A = slopes[:,nxs]*Tau
-        return A
-    
     def posZigZag(tau,Tmm,XYZmax):
         DT = Tmm[1]-Tmm[0]
@@ -2665 +2660 @@
             dX = posFourier(tau,nH,delt6[:3],delt6[3:]) #+np.array(XYZ)[:,nxs,nxs]
               #3x6x12 modulated position array (X,Spos,tau)& force positive
-        elif waveType == 'Sawtooth':
-            dX = posSawtooth(tau,delt4[0],delt4[1:])
         elif waveType in ['ZigZag','Block']:
             if waveType == 'ZigZag':
@@ -2680 +2673 @@
             if 'Fourier' in waveType:
                 CSI = [np.zeros((6,3),dtype='i'),np.zeros((6,3))]
-            elif waveType == 'Sawtooth':
-                CSI = [np.array([[1,0,0],[2,0,0],[3,0,0],[4,0,0]]),
-                    np.array([[1.0,.0,.0],[1.0,.0,.0],[1.0,.0,.0],[1.0,.0,.0]])]
             elif waveType in ['ZigZag','Block']:
                 CSI = [np.array([[1,0,0],[2,0,0],[3,0,0],[4,0,0],[5,0,0]]),
@@ -2695 +2685 @@
                 if 'Fourier' in waveType:
                     dXT = posFourier(np.sort(tauT),nH,delt6[:3],delt6[3:])   #+np.array(XYZ)[:,nxs,nxs]
-                elif waveType == 'Sawtooth':
-                    dXT = posSawtooth(tauT,delt4[0],delt4[1:])+np.array(XYZ)[:,nxs,nxs]
                 elif waveType == 'ZigZag':
                     dXT = posZigZag(tauT,delt5[:2],delt5[2:])+np.array(XYZ)[:,nxs,nxs]
@@ -2750 +2738 @@
                                 CSI[1][:2] = [[1.,0,0],[mul,0,0]]
                                 xsc[:2] = 0
+                else:
+                    for i in range(3):
+                        if not np.allclose(dX[:,i],dXT[i,:,i]):
+                            xsc[i] = 0
                 XSC &= xsc
                 if debug: print (SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,xsc)