Changeset 5004

Timestamp:

Jul 28, 2021 4:18:54 PM (4 months ago)

Author:

toby

Message:

better msg on Hessian refine w/0 vars; clean up docs

Location:

trunk

Files:

• GSASIIpwd.py (modified) (1 diff)
• GSASIIstrMain.py (modified) (2 diffs)

trunk/GSASIIpwd.py

@@ -789 +789 @@
     (for peaks above 90 deg, these are reversed.)
     
-    param pos: peak position; 2-theta in degrees
-    param sig: Gaussian peak variance in centideg^2
-    param gam: Lorentzian peak width in centidegrees
-    param shl: axial divergence parameter (S+H)/
-    
-    returns: widths; [Gaussian sigma, Lornetzian gamma] in degrees
-    returns: low angle, high angle ends of peak; 20FWHM & 50 FWHM from position
-        reverset for 2-theta > 90 deg.
+    :param pos: peak position; 2-theta in degrees
+    :param sig: Gaussian peak variance in centideg^2
+    :param gam: Lorentzian peak width in centidegrees
+    :param shl: axial divergence parameter (S+H)/L
+    
+    :returns: widths; [Gaussian sigma, Lorentzian gamma] in degrees, and 
+        low angle, high angle ends of peak; 20 FWHM & 50 FWHM from position
+        reversed for 2-theta > 90 deg.
     '''
     widths = [np.sqrt(sig)/100.,gam/100.]

trunk/GSASIIstrMain.py

@@ -252 +252 @@
             break
         IfOK = True
+        if not len(varyList):
+            covMatrix = []
+            break
         try:
             covMatrix = result[1]*Rvals['GOF']**2
@@ -265 +268 @@
             # if we get here, no result[1] (covar matrix) was returned or other calc error: refinement failed
             IfOK = False
-            if not len(varyList):
-                covMatrix = []
-                break
             if 'Hessian' in Controls['deriv type']:
                 SVD0 = result[2].get('SVD0')