Changeset 530 for trunk/GSASIImath.py

Timestamp:

Apr 6, 2012 1:30:45 PM (11 years ago)

Author:

vondreele

Message:

small fix to HessianLSQ about # of cycles
finish map peak search (no GUI/plot output yet)

File:

• trunk/GSASIImath.py (modified) (2 diffs)

trunk/GSASIImath.py

@@ -91 +91 @@
     lamMax = lam
     nfev = 0
-    while icycle <= maxcyc:
+    while icycle < maxcyc:
         lamMax = max(lamMax,lam)
         M = func(x0,*args)
@@ -131 +131 @@
         Bmat = nl.inv(Amat)
         return [x0,Bmat,{'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'psing':[]}]
-    except LinAlgError:
-        psing = list(np.where(np.diag(nl.gr(Amat)[1]) < 1.e-14)[0])
+    except nl.LinAlgError:
+        psing = []
+        if maxcyc:
+            psing = list(np.where(np.diag(nl.qr(Amat)[1]) < 1.e-14)[0])
         return [x0,None,{'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'psing':psing}]
-
-def calcFouriermap():
-    print 'Calculate Fourier map'
-
-    
+   
 def getVCov(varyNames,varyList,covMatrix):
     vcov = np.zeros((len(varyNames),len(varyNames)))