Changeset 2961 for branch

Timestamp:

Aug 2, 2017 7:38:42 PM (6 years ago)

Author:

toby

Message:

fix bug in derivative for excluded regions

File:

• branch/2frame/GSASIIstrMath.py (modified) (3 diffs)

branch/2frame/GSASIIstrMath.py

@@ -3259 +3259 @@
                 ip = names.index(parm)
                 dMdv[varylist.index(name)] += dMdpk[4*id+ip]
-    cw = np.diff(x)
+    cw = np.diff(ma.getdata(x))
     cw = np.append(cw,cw[-1])
     Ka2 = False #also for TOF!
@@ -3542 +3542 @@
     #print '#3 getPowderProfileDerv t=',time.time()-starttime
     #print timelist,sum(timelist)
+    dMdv[:,ma.getmaskarray(x)] = 0.  # instead of masking, zero out masked values
     dMdv = ma.array(dMdv,mask=np.outer(np.ones(len(varylist)),ma.getmaskarray(x)))      #x is a MaskedArray!
     G2mv.Dict2Deriv(varylist,depDerivDict,dMdv)
@@ -3747 +3748 @@
             dMdvh = getPowderProfileDerv(parmDict,x[xB:xF],
                 varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup)
+            # print 'HessRefine getPowderProfileDerv'
+            # import cPickle
+            # fp = open('/tmp/hess.pkl','w')
+            # cPickle.dump(dMdvh,fp,1)
+            # fp.close()
             Wt = ma.sqrt(W[xB:xF])[nxs,:]
             Dy = dy[xB:xF][nxs,:]