Changeset 2233


Ignore:
Timestamp:
Apr 30, 2016 8:37:25 PM (6 years ago)
Author:
vondreele
Message:

force transposed phase atoms to be in unit cell
modify structure plot to reflect moved, transposed, etc. atoms directly

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIlattice.py

    r2232 r2233  
    252252                newAtoms += moreAtoms
    253253    for atom in newAtoms:
    254         atom[cx:cx+3] = TransformXYZ(atom[cx:cx+3],invTrans.T,Vec)
     254        atom[cx:cx+3] = TransformXYZ(atom[cx:cx+3],invTrans.T,Vec)%1.
    255255        if atom[cia] == 'A':
    256256            atom[cia+2:cia+8] = TransformU6(atom[cia+2:cia+8],invTrans)
  • trunk/GSASIIphsGUI.py

    r2230 r2233  
    16551655        FillAtomsGrid(Atoms)
    16561656        event.StopPropagation()
     1657        data['Drawing']['Atoms'] = []
     1658        UpdateDrawAtoms()
    16571659        G2plt.PlotStructure(G2frame,data)
    16581660               
     
    16721674                {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
    16731675        SetupGeneral()
    1674         if 'Atoms' in data['Drawing']:           
    1675             DrawAtomAdd(data['Drawing'],atomData[-1])
     1676        data['Drawing']['Atoms'] = []
     1677        UpdateDrawAtoms()
     1678        G2plt.PlotStructure(G2frame,data)
     1679#        if 'Atoms' in data['Drawing']:           
     1680#            DrawAtomAdd(data['Drawing'],atomData[-1])
    16761681
    16771682    def OnAtomInsert(event):
     
    16811686            FillAtomsGrid(Atoms)
    16821687            event.StopPropagation()
     1688            data['Drawing']['Atoms'] = []
     1689            UpdateDrawAtoms()
    16831690            G2plt.PlotStructure(G2frame,data)
    16841691       
     
    18911898                {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
    18921899        SetupGeneral()
     1900        data['Drawing']['Atoms'] = []
     1901        UpdateDrawAtoms()
     1902        G2plt.PlotStructure(G2frame,data)
    18931903
    18941904    def AtomDelete(event):
     
    20322042                    FillAtomsGrid(Atoms)
    20332043                dlg.Destroy()
     2044            data['Drawing']['Atoms'] = []
     2045            UpdateDrawAtoms()
     2046            G2plt.PlotStructure(G2frame,data)
     2047        else:
     2048            print "select one or more rows of atoms"
     2049            G2frame.ErrorDialog('Select atom',"select one or more atoms then redo")
    20342050
    20352051    def AtomTransform(event):
     
    20822098            else:
    20832099                Atoms.ForceRefresh()
     2100            data['Drawing']['Atoms'] = []
     2101            UpdateDrawAtoms()
     2102            G2plt.PlotStructure(G2frame,data)
    20842103        else:
    20852104            print "select one or more rows of atoms"
     
    73417360        G2frame.dataFrame.Bind(wx.EVT_MENU, AtomModify, id=G2gd.wxID_ATOMSMODIFY)
    73427361        G2frame.dataFrame.Bind(wx.EVT_MENU, AtomTransform, id=G2gd.wxID_ATOMSTRANSFORM)
    7343         G2frame.dataFrame.Bind(wx.EVT_MENU, AtomRotate, id=G2gd.wxID_ATOMSROTATE)
     7362#        G2frame.dataFrame.Bind(wx.EVT_MENU, AtomRotate, id=G2gd.wxID_ATOMSROTATE)
    73447363        G2frame.dataFrame.Bind(wx.EVT_MENU, MakeMolecule, id=G2gd.wxID_MAKEMOLECULE)
    73457364        G2frame.dataFrame.Bind(wx.EVT_MENU, OnReloadDrawAtoms, id=G2gd.wxID_RELOADDRAWATOMS)
Note: See TracChangeset for help on using the changeset viewer.