Changeset 3093 for trunk/GSASIIstrMath.py
- Timestamp:
- Sep 20, 2017 5:36:05 PM (5 years ago)
- File:
-
- 1 edited
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trunk/GSASIIstrMath.py
r3068 r3093 3927 3927 # now process derivatives in constraints 3928 3928 dMdv[:,ma.getmaskarray(x)] = 0. # instead of masking, zero out masked values 3929 G2mv.Dict2Deriv(varylist,depDerivDict,dMdv)3930 return dMdv 3929 #G2mv.Dict2Deriv(varylist,depDerivDict,dMdv) 3930 return dMdv,depDerivDict 3931 3931 3932 3932 def UserRejectHKL(ref,im,userReject): … … 4070 4070 xB = np.searchsorted(x,Limits[0]) 4071 4071 xF = np.searchsorted(x,Limits[1])+1 4072 dMdv h = np.sqrt(w[xB:xF])*getPowderProfileDervMP([parmDict,x[xB:xF],4072 dMdv,depDerivDict = getPowderProfileDervMP([parmDict,x[xB:xF], 4073 4073 varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup,dependentVars]) 4074 G2mv.Dict2Deriv(varylist,depDerivDict,dMdv) 4075 dMdvh = np.sqrt(w[xB:xF])*dMdv 4074 4076 elif 'HKLF' in histogram[:4]: 4075 4077 Histogram = Histograms[histogram] … … 4134 4136 MPpool = mp.Pool(ncores) 4135 4137 dMdvh = None 4138 depDerivDict = None 4136 4139 profArgs = [ 4137 4140 (parmDict,x[xB:xF],varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup,dependentVars, 4138 4141 i,ncores) for i in range(ncores)] 4139 for dmdv in MPpool.imap_unordered(getPowderProfileDervMP,profArgs):4142 for dmdv,depDerivs in MPpool.imap_unordered(getPowderProfileDervMP,profArgs): 4140 4143 if dMdvh is None: 4141 4144 dMdvh = dmdv 4145 depDerivDict = depDerivs 4142 4146 else: 4143 4147 dMdvh += dmdv 4148 for key in depDerivs.keys(): depDerivDict[key] += depDerivs[key] 4144 4149 else: 4145 dMdvh = getPowderProfileDervMP([parmDict,x[xB:xF],4150 dMdvh,depDerivDict = getPowderProfileDervMP([parmDict,x[xB:xF], 4146 4151 varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup,dependentVars]) 4147 4152 #dMdvh = getPowderProfileDerv(parmDict,x[xB:xF], 4148 4153 # varylist,Histogram,Phases,rigidbodyDict,calcControls,pawleyLookup,dependentVars) 4154 G2mv.Dict2Deriv(varylist,depDerivDict,dMdvh) 4149 4155 if GSASIIpath.GetConfigValue('debug'): print 'getPowderProfileDerv t=',time.time()-starttime 4150 4156 Wt = ma.sqrt(W[xB:xF])[nxs,:]
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