Changeset 1874

Timestamp:

Jun 1, 2015 11:31:55 AM (7 years ago)

Author:

vondreele

Message:

minor formatting change for TOF peak fitting
fix powder extinction & derivatives

Location:

trunk

Files:

• GSASIIpwd.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (3 diffs)

trunk/GSASIIpwd.py

@@ -1514 +1514 @@
         head = 13*' '
         for name in names:
-            head += name.center(10)+'esd'.center(10)
+            if name in ['alp','bet']:
+                head += name.center(8)+'esd'.center(8)
+            else:
+                head += name.center(10)+'esd'.center(10)
         print head
         if 'C' in dataType:
             ptfmt = {'pos':"%10.5f",'int':"%10.1f",'sig':"%10.3f",'gam':"%10.3f"}
         else:
-            ptfmt = {'pos':"%10.2f",'int':"%10.4f",'alp':"%10.3f",'bet':"%10.5f",'sig':"%10.3f",'gam':"%10.3f"}
+            ptfmt = {'pos':"%10.2f",'int':"%10.4f",'alp':"%8.3f",'bet':"%8.5f",'sig':"%10.3f",'gam':"%10.3f"}
         for i,peak in enumerate(Peaks):
             ptstr =  ':'

trunk/GSASIIstrMath.py

@@ -1403 +1403 @@
     exb = 1.0
     if xfac > -1.:
-        exb = 1./(1.+xfac)
+        exb = 1./np.sqrt(1.+xfac)
     exl = 1.0
     if 0 < xfac <= 1.:
@@ -1430 +1430 @@
     dbde = -500.*flv2
     if xfac > -1.:
-        dbde = -flv2/(1.+xfac)**3
+        dbde = -0.5*flv2/np.sqrt(1.+xfac)**3
     dlde = 0.
     if 0 < xfac <= 1.:
@@ -1440 +1440 @@
         
     return dbde*sth2+dlde*(1.-sth2)
-
-
-#    delt = 0.01
-#    parmDict[phfx+'Extinction'] += delt
-#    plus = GetPwdrExt(refl,im,pfx,phfx,hfx,calcControls,parmDict)
-#    parmDict[phfx+'Extinction'] -= 2.*delt
-#    minus = GetPwdrExt(refl,im,pfx,phfx,hfx,calcControls,parmDict)
-#    parmDict[phfx+'Extinction'] += delt
-#    return (plus-minus)/(2.*delt)    
     
 def GetIntensityCorr(refl,im,uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict):