Changeset 4461


Ignore:
Timestamp:
Jun 3, 2020 5:09:35 PM (16 months ago)
Author:
vondreele
Message:

fix bugs in MakeRMC6f & MakefullrmcPDB

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r4460 r4461  
    59745974                '_SQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) for '],
    59755975                '_SQ2.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q)-2 for '],
    5976                 '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP F(Q) for '],
     5976                '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP x-ray S(Q) for '],
    59775977                '_FT_XFQ1.csv':[r'$\mathsf{R,\AA}$','g(R)','RMCP x-ray g(R) for '],
    59785978                '_bragg.csv':[r'$\mathsf{TOF,\mu s}$','Normalized Intensity','RMCP bragg for ']}
  • trunk/GSASIIpwd.py

    r4447 r4461  
    22302230    Dups,Fracs = findDup(Phase['Atoms'])
    22312231    Sfracs = [np.cumsum(fracs) for fracs in Fracs]
    2232     ifSfracs = np.any(np.array(Sfracs)-1.)
     2232    ifSfracs = any([np.any(sfracs-1.) for sfracs in Sfracs])
    22332233    Sample = PWDdata['Sample Parameters']
    22342234    Meta['temperature'] = Sample['Temperature']
     
    27832783    Dups,Fracs = findDup(Phase['Atoms'])
    27842784    Sfracs = [np.cumsum(fracs) for fracs in Fracs]
    2785     ifSfracs = np.any(np.array(Sfracs)-1.)
     2785    ifSfracs = any([np.any(sfracs-1.) for sfracs in Sfracs])
    27862786    Supercell = RMCPdict['SuperCell']
    27872787    Cell = generalData['Cell'][1:7]
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