Changeset 2928

Timestamp:

Jul 12, 2017 1:08:49 PM (6 years ago)

Author:

toby

Message:

fix seq. ref. window; screen positioning bug; read of multiple data files after use of defaults parms

Location:

branch/2frame

Files:

• GSASIIpwd.py (modified) (3 diffs)
• GSASIIstrMain.py (modified) (2 diffs)

branch/2frame/GSASIIpwd.py

@@ -681 +681 @@
                 
 def getFCJVoigt(pos,intens,sig,gam,shl,xdata):    
-    'needs a doc string'
+    '''Compute the Finger-Cox-Jepcoat modified Voigt function for a
+    CW powder peak by direct convolution. This version is not used.
+    '''
     DX = xdata[1]-xdata[0]
     widths,fmin,fmax = getWidthsCW(pos,sig,gam,shl)
@@ -953 +955 @@
 #use old fortran routine
 def getFCJVoigt3(pos,sig,gam,shl,xdata):
-    'needs a doc string'
+    '''Compute the Finger-Cox-Jepcoat modified Pseudo-Voigt function for a
+    CW powder peak in external Fortran routine
+    '''
     Df = pyd.pypsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl)
 #    Df = pyd.pypsvfcjo(len(xdata),xdata-pos,pos,sig,gam,shl)
@@ -960 +964 @@
 
 def getdFCJVoigt3(pos,sig,gam,shl,xdata):
-    'needs a doc string'
-    
+    '''Compute analytic derivatives the Finger-Cox-Jepcoat modified Pseudo-Voigt
+    function for a CW powder peak
+    '''
     Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl)
 #    Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcjo(len(xdata),xdata-pos,pos,sig,gam,shl)

branch/2frame/GSASIIstrMain.py

@@ -21 +21 @@
 import scipy.optimize as so
 import GSASIIpath
+GSASIIpath.SetBinaryPath()
 GSASIIpath.SetVersionNumber("$Revision$")
 import GSASIIlattice as G2lat
@@ -767 +768 @@
          
 if __name__ == '__main__':
-    GSASIIpath.SetBinaryPath()
     main()