Changeset 1466
- Timestamp:
- Aug 18, 2014 2:53:26 PM (8 years ago)
- Location:
- trunk
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r1462 r1466 655 655 ref[4] = np.sqrt(1./G2lat.calc_rDsq2(H,G)) 656 656 iabsnt,ref[3],Uniq,phi = G2spc.GenHKLf(H,SGData) 657 UseList[histoName] = SetDefaultDData(ref Dict['Type'],histoName)657 UseList[histoName] = SetDefaultDData(reflData['Type'],histoName) 658 658 elif histoName in PWDRlist: 659 659 Id = G2gd.GetPatternTreeItemId(self,self.root,histoName) … … 782 782 Id = G2gd.GetPatternTreeItemId(self,self.root,histoName) 783 783 refDict,reflData = self.PatternTree.GetItemPyData(Id) 784 UseList[histoName] = SetDefaultDData(ref Dict['Type'],histoName)784 UseList[histoName] = SetDefaultDData(reflData['Type'],histoName) 785 785 G,g = G2lat.cell2Gmat(generalData['Cell'][1:7]) 786 786 for iref,ref in enumerate(reflData['RefList']): -
trunk/GSASIIplot.py
r1463 r1466 512 512 Data['Iscale'] = not Data['Iscale'] 513 513 elif key in Choice: 514 Data['Type'] = Choice[key] 514 Data['Type'] = Choice[key] 515 515 Draw('key') 516 516 … … 723 723 x,y,z = xyz 724 724 r,c = rc 725 gl Color3ubv(c)725 glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,c) 726 726 glPointSize(r*50) 727 727 glBegin(GL_POINTS) … … 775 775 RenderDots(HKL,RC) 776 776 time0 = time.time() 777 # glEnable(GL_BLEND)778 # glBlendFunc(GL_SRC_ALPHA,GL_ONE_MINUS_SRC_ALPHA)779 # glDisable(GL_BLEND)780 777 if Page.context: Page.canvas.SetCurrent(Page.context) # wx 2.9 fix 781 778 Page.canvas.SwapBuffers() -
trunk/GSASIIpwdGUI.py
r1462 r1466 2552 2552 if HKLF: 2553 2553 colLabels = ['H','K','L','mul','d','Fosq','sig','Fcsq','FoTsq','FcTsq','phase','ExtC',] 2554 if 'T' in Inst['Type'][0]: 2555 colLabels = ['H','K','L','mul','d','Fosq','sig','Fcsq','FoTsq','FcTsq','phase','ExtC','wave','tbar'] 2556 Types += 2*[wg.GRID_VALUE_FLOAT+':10,3',] 2554 2557 else: 2555 2558 if 'C' in Inst['Type'][0]: -
trunk/GSASIIstrMath.py
r1465 r1466 822 822 AV = 1.e7/parmDict[pfx+'Vol']**2 823 823 PL = np.sqrt(1.0-cos2T**2)/parmDict[hfx+'Lam'] 824 PLZ = AV*ref[ 7]*parmDict[hfx+'Lam']**2824 PLZ = AV*ref[9]*parmDict[hfx+'Lam']**2 #Fcsq as per GSAS, why not FcTsq (ref[9])? 825 825 826 826 if 'Primary' in calcControls[phfx+'EType']: … … 830 830 PLZ *= calcControls[phfx+'Tbar'] 831 831 else: #'T' 832 PLZ *= ref[13] 832 PLZ *= ref[13] #t-bar 833 833 if 'Primary' in calcControls[phfx+'EType']: 834 834 PLZ *= 1.5 … … 1127 1127 return Icorr,POcorr,AbsCorr,ExtCorr 1128 1128 1129 def GetIntensityDerv(refl, uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict):1129 def GetIntensityDerv(refl,wave,uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict): 1130 1130 'Needs a doc string' #need powder extinction derivs! 1131 1131 dIdsh = 1./parmDict[hfx+'Scale'] … … 1149 1149 for iPO in dIdPO: 1150 1150 dIdPO[iPO] /= POcorr 1151 dFdAb = GetAbsorbDerv(refl,hfx,calcControls,parmDict)*refl[14]/refl[16] #wave/abs corr 1152 dFdEx = GetPwdrExtDerv(refl,pfx,phfx,hfx,calcControls,parmDict)/refl[17] #/ext corr 1151 if 'T' in parmDict[hfx+'Type']: 1152 dFdAb = GetAbsorbDerv(refl,hfx,calcControls,parmDict)*wave/refl[16] #wave/abs corr 1153 dFdEx = GetPwdrExtDerv(refl,pfx,phfx,hfx,calcControls,parmDict)/refl[17] #/ext corr 1154 else: 1155 dFdAb = GetAbsorbDerv(refl,hfx,calcControls,parmDict)*wave/refl[13] #wave/abs corr 1156 dFdEx = GetPwdrExtDerv(refl,pfx,phfx,hfx,calcControls,parmDict)/refl[14] #/ext corr 1153 1157 return dIdsh,dIdsp,dIdPola,dIdPO,dFdODF,dFdSA,dFdAb,dFdEx 1154 1158 … … 1777 1781 h,k,l = refl[:3] 1778 1782 Uniq = np.inner(refl[:3],SGMT) 1779 dIdsh,dIdsp,dIdpola,dIdPO,dFdODF,dFdSA,dFdAb,dFdEx = GetIntensityDerv(refl, Uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict)1783 dIdsh,dIdsp,dIdpola,dIdPO,dFdODF,dFdSA,dFdAb,dFdEx = GetIntensityDerv(refl,wave,Uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict) 1780 1784 if 'C' in calcControls[hfx+'histType']: #CW powder 1781 1785 Wd,fmin,fmax = G2pwd.getWidthsCW(refl[5],refl[6],refl[7],shl) … … 2000 2004 for j,var in enumerate(varylist): 2001 2005 if var in dFdvDict: 2002 dMdvh[j][iref] = w*dFdvDict[var][iref]*parmDict[phfx+'Scale']* dervCor*ref[11]2006 dMdvh[j][iref] = w*dFdvDict[var][iref]*parmDict[phfx+'Scale']*ref[11] #*dervCor 2003 2007 for var in dependentVars: 2004 2008 if var in dFdvDict: 2005 depDerivDict[var][iref] = w*dFdvDict[var][iref]*parmDict[phfx+'Scale']* dervCor*ref[11]2009 depDerivDict[var][iref] = w*dFdvDict[var][iref]*parmDict[phfx+'Scale']*ref[11] #*dervCor 2006 2010 if phfx+'Scale' in varylist: 2007 2011 dMdvh[varylist.index(phfx+'Scale')][iref] = w*ref[9]*dervCor … … 2039 2043 for item in ['Ep','Es','Eg']: 2040 2044 if phfx+item in varylist and dervDict: 2041 dMdvh[varylist.index(phfx+item)][iref] = w*dervDict[phfx+item]/ dervCor#correct2045 dMdvh[varylist.index(phfx+item)][iref] = w*dervDict[phfx+item]/ref[11] #correct 2042 2046 elif phfx+item in dependentVars and dervDict: 2043 depDerivDict[phfx+item][iref] = w*dervDict[phfx+item]/ dervCor2047 depDerivDict[phfx+item][iref] = w*dervDict[phfx+item]/ref[11] 2044 2048 for item in ['BabA','BabU']: 2045 2049 if phfx+item in varylist:
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