Changeset 1981 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
Sep 29, 2015 3:04:45 PM (6 years ago)
Author:
vondreele
Message:

fixes to modulation plots & 3D & 4D Fourier map processing

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIphsGUI.py

    r1978 r1981  
    23632363            atomSizer.Add(waveType,0,WACV)
    23642364            axchoice = ['x','y','z']
    2365             if len(Map['rho']):
     2365            if len(D4Map['rho']):
    23662366                atomSizer.Add(wx.StaticText(waveData,label=' Show contour map for axis:'),0,WACV)
    23672367                mapSel = wx.ComboBox(waveData,value=' ',choices=axchoice,
     
    25152515        cx,ct,cs,cia = generalData['AtomPtrs']
    25162516        atomData = data['Atoms']
    2517         Map = generalData['4DmapData']
     2517        Map = generalData['Map']
     2518        D4Map = generalData['4DmapData']
    25182519        if waveData.GetSizer():
    25192520            waveData.GetSizer().Clear(True)
     
    25562557        ReflData = GetReflData(G2frame,phaseName,reflNames)
    25572558        if ReflData == None: return
    2558         mapData.update(G2mth.Fourier4DMap(data,ReflData))
     2559        G2mth.Fourier4DMap(data,ReflData)
     2560        data['Drawing']['contourLevel'] = 1.
     2561        data['Drawing']['mapSize'] = 10.
    25592562        mapSig = np.std(mapData['rho'])
    2560         print mapData['MapType']+' computed: rhomax = %.3f rhomin = %.3f sigma = %.3f'%(np.max(mapData['rho']),np.min(mapData['rho']),mapSig)
     2563        print '4D '+mapData['MapType']+' computed: rhomax = %.3f rhomin = %.3f sigma = %.3f'%(np.max(mapData['rho']),np.min(mapData['rho']),mapSig)
    25612564        wx.CallAfter(UpdateWavesData)
    25622565           
     
    60776080            pgbar.Destroy()
    60786081        else:
    6079             mapData.update(G2mth.FourierMap(data,ReflData))
     6082            if generalData['Type'] in ['modulated',]:
     6083                dim = '4D '
     6084                G2mth.Fourier4DMap(data,ReflData)
     6085            else:
     6086                dim = '3D '
     6087                G2mth.FourierMap(data,ReflData)
    60806088        mapData['Flip'] = False
    60816089        mapSig = np.std(mapData['rho'])
     
    60846092        data['Drawing']['contourLevel'] = 1.
    60856093        data['Drawing']['mapSize'] = 10.
    6086         print mapData['MapType']+' computed: rhomax = %.3f rhomin = %.3f sigma = %.3f'%(np.max(mapData['rho']),np.min(mapData['rho']),mapSig)
     6094        print dim+mapData['MapType']+' computed: rhomax = %.3f rhomin = %.3f sigma = %.3f'%(np.max(mapData['rho']),np.min(mapData['rho']),mapSig)
    60876095        UpdateDrawAtoms()
    60886096        G2plt.PlotStructure(G2frame,data)
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