Changeset 3211


Ignore:
Timestamp:
Jan 1, 2018 2:12:54 PM (4 years ago)
Author:
vondreele
Message:

fix integer divide in wave display
some fixes to mcif import

Location:
trunk
Files:
4 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3210 r3211  
    18291829            Choice = []
    18301830            for item in SSChoice:
    1831                 if generalData['SGData']['SGGray']:
     1831                if generalData['SGData'].get('SGGray',False):
    18321832                    E,SSG = G2spc.SSpcGroup(generalData['SGData'],item+'s')                   
    18331833                else:
  • trunk/GSASIIplot.py

    r3210 r3211  
    41134113        ' at %.4f %.4f %.4f'%(atxyz[0],atxyz[1],atxyz[2])
    41144114    ix = -np.array(np.rint(rhoSize[:3]*atxyz)+1,dtype='i')
    4115     ix += (rhoSize[:3]/2)
     4115    ix += (rhoSize[:3]//2)
    41164116    ix = ix%rhoSize[:3]
    41174117    rho = np.roll(np.roll(np.roll(Map['rho'],ix[0],axis=0),ix[1],axis=1),ix[2],axis=2)
    4118     ix = rhoSize[:3]/2
     4118    ix = rhoSize[:3]//2
    41194119    ib = 4
    41204120    hdx = [2,2,2]       #this needs to be something for an offset correction on atom positions
  • trunk/GSASIIspc.py

    r3210 r3211  
    29332933    if "1'" in rspc:
    29342934        gray = " 1'"
    2935         rspc = rspc[:-2]
     2935        rspc = rspc.replace("1'",'')
    29362936    elif rspc[-1:] == 'H': # hexagonal is assumed and thus can be ignored
    29372937        rspc = rspc[:-1]
     2938    else:
     2939        rspc = rspc.replace("'",'')
    29382940    # look for a match in the spacegroup lists
    29392941    for i in spglist.values():
  • trunk/imports/G2phase_CIF.py

    r3210 r3211  
    179179                    sspgrp[1] = "("+sspgrp[1]
    180180                    SpGrp = G2spc.StandardizeSpcName(sspgrp[0])
     181                    MSpGrp = sspgrp[0]
    181182                    self.MPhase['General']['Type'] = 'magnetic'
    182183                    self.MPhase['General']['AtomPtrs'] = [3,1,10,12]
     
    189190                if not SpGrp:
    190191                    print (sspgrp)
    191                     self.warnings += 'No space group name was found in the CIF.'
     192                    self.warnings += 'Space group name '+sspgrp[0]+sspgrp[1]+' not recognized by GSAS-II'
    192193                    return False
    193194                SuperSg = sspgrp[1].replace('\\','')
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