Changeset 2563 for trunk/GSASIIpwdGUI.py


Ignore:
Timestamp:
Dec 7, 2016 11:53:18 AM (5 years ago)
Author:
vondreele
Message:

Speed up image integration on Mac by reducing ProgressBar? calls from 3*nBlk*nBlk+3 to Nblk+3
Allow PDF setup to include chemical formula from tif macrofile
fix contour bug for G(R), etc.
fix copy error for masks

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwdGUI.py

    r2561 r2563  
    47474747    inst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,powId, 'Instrument Parameters'))[0]
    47484748    if 'C' in inst['Type'][0]:
    4749         if 'Lam' in inst:
    4750             keV = 12.397639/inst['Lam'][1]
    4751         else:
    4752             keV = 12.397639/inst['Lam1'][0]
    4753         wave = 12.397639/keV
     4749        wave = G2mth.getWave(inst)
     4750        keV = 12.397639/wave
    47544751        qLimits = [tth2q(fullLimits[0],wave),tth2q(fullLimits[1],wave)]
    47554752        polariz = inst['Polariz.'][1]
     
    51245121            El = PE.Elem
    51255122            if El not in ElList and El != 'None':
    5126                 ElemSym = El.strip().capitalize()
    5127                 if 'X' in inst['Type'][0]:               
    5128                     FpMu = G2elem.FPcalc(G2elem.GetXsectionCoeff(ElemSym), keV)
    5129                     ElData = G2elem.GetFormFactorCoeff(ElemSym)[0]
    5130                     ElData['FormulaNo'] = 0.0
    5131                     ElData.update(G2elem.GetAtomInfo(ElemSym))
    5132                     ElData.update(dict(zip(['fp','fpp','mu'],FpMu)))
    5133                     ElData.update(G2elem.GetFFC5(El))
    5134                 else: #'N'eutron
    5135                     ElData = {}
    5136                     ElData.update(G2elem.GetAtomInfo(ElemSym))
    5137                     ElData['FormulaNo'] = 0.0
    5138                     ElData.update({'mu':0.0,'fp':0.0,'fpp':0.0})
    5139                 data['ElList'][El] = ElData
     5123                data['ElList'][El] = G2elem.GetElInfo(El)
    51405124            data['Form Vol'] = max(10.0,SumElementVolumes())
    51415125        PE.Destroy()
Note: See TracChangeset for help on using the changeset viewer.