Changeset 1645


Ignore:
Timestamp:
Feb 10, 2015 4:16:02 PM (7 years ago)
Author:
vondreele
Message:

define a mapDataType? for the data type used to make the Fourier/charge flip map & then show negative density for neutron maps.

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r1643 r1645  
    16431643    rho = fft.fftn(fft.fftshift(Fhkl))/cell[6]
    16441644    print 'Fourier map time: %.4f'%(time.time()-time0),'no. elements: %d'%(Fhkl.size)
     1645    mapData['Type'] = reflDict['Type']
    16451646    mapData['rho'] = np.real(rho)
    16461647    mapData['rhoMax'] = max(np.max(mapData['rho']),-np.min(mapData['rho']))
     
    17111712    rho = fft.fftn(fft.fftshift(Fhkl))/cell[6]
    17121713    print 'Fourier map time: %.4f'%(time.time()-time0),'no. elements: %d'%(Fhkl.size)
     1714    mapData['Type'] = reflDict['Type']
    17131715    mapData['rho'] = np.real(rho)
    17141716    mapData['rhoMax'] = max(np.max(mapData['rho']),-np.min(mapData['rho']))
     
    19081910    mapData['rho'] = np.roll(np.roll(np.roll(CErho,roll[0],axis=0),roll[1],axis=1),roll[2],axis=2)
    19091911    mapData['rhoMax'] = max(np.max(mapData['rho']),-np.min(mapData['rho']))
     1912    mapData['Type'] = reflDict['Type']
    19101913    return mapData
    19111914   
     
    20692072    mapData['rho'] = np.roll(np.roll(np.roll(CErho,roll[0],axis=0),roll[1],axis=1),roll[2],axis=2)
    20702073    mapData['rhoMax'] = max(np.max(mapData['rho']),-np.min(mapData['rho']))
     2074    mapData['Type'] = reflDict['Type']
    20712075
    20722076    map4DData['Rcf'] = Rcf
    20732077    map4DData['rho'] = np.real(np.roll(np.roll(np.roll(np.roll(SSrho,roll[0],axis=0),roll[1],axis=1),roll[2],axis=2),roll[3],axis=3))
    20742078    map4DData['rhoMax'] = max(np.max(map4DData['rho']),-np.min(map4DData['rho']))
     2079    map4DData['Type'] = reflDict['Type']
    20752080    return mapData,map4DData
    20762081   
  • trunk/GSASIIplot.py

    r1643 r1645  
    47944794            VP = np.array(drawingData['viewPoint'][0])-np.array([.5,.5,.5])
    47954795            contLevel = drawingData['contourLevel']*mapData['rhoMax']
    4796             if 'delt-F' in mapData['MapType']:
     4796            if 'delt-F' in mapData['MapType'] or 'N' in mapData['Type']:
    47974797                rho = ma.array(mapData['rho'],mask=(np.abs(mapData['rho'])<contLevel))
    47984798            else:
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