Changeset 826
- Timestamp:
- Jan 11, 2013 12:43:34 PM (10 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIImath.py
r824 r826 197 197 XYZ.append([parmDict[name]+parmDict[dname] for name,dname in zip(names,dnames)]) 198 198 return XYZ 199 200 def GetSHCoeff(pId,parmDict,SHkeys): 201 SHCoeff = {} 202 for shkey in SHkeys: 203 shname = str(pId)+'::'+shkey 204 SHCoeff[shkey] = parmDict[shname] 205 return SHCoeff 199 206 200 207 def getMass(generalData): -
trunk/GSASIIstruct.py
r825 r826 2096 2096 pWt.append(wt/esd**2) 2097 2097 elif name == 'Texture': 2098 SHCoef = textureData['SH Coeff'][1] 2098 SHkeys = textureData['SH Coeff'][1].keys() 2099 SHCoef = G2mth.GetSHCoeff(pId,parmDict,SHkeys) 2099 2100 shModels = ['cylindrical','none','shear - 2/m','rolling - mmm'] 2100 2101 SamSym = dict(zip(shModels,['0','-1','2/m','mmm'])) … … 2142 2143 textureData = General['SH Texture'] 2143 2144 2144 SHCoef = textureData['SH Coeff'][1] 2145 SHkeys = textureData['SH Coeff'][1].keys() 2146 SHCoef = G2mth.GetSHCoeff(pId,parmDict,SHkeys) 2145 2147 shModels = ['cylindrical','none','shear - 2/m','rolling - mmm'] 2146 2148 SamSym = dict(zip(shModels,['0','-1','2/m','mmm'])) … … 2155 2157 if pId == int(pnames[0]): 2156 2158 name = pnames[1] 2157 if not name: #empty for Pawley restraints; pName has '::' in it - skip the rest 2159 if not name: #empty for Pawley restraints; pName has '::' in it 2160 pDerv[varyList.index(pName)][ip] += 1. 2158 2161 continue 2159 2162 id = int(pnames[2]) … … 2217 2220 except ValueError: 2218 2221 pass 2219 for i,item in enumerate(varyList): 2220 if item in pNames: 2221 pDerv[i][pNames.index(item)] += 1. 2222 print np.sum(pDerv),pDerv.shape 2222 2223 return pDerv 2223 2224
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