PartialChargesWidget.py 1.85 KB
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#MDANSE : Molecular Dynamics Analysis for Neutron Scattering Experiments
#------------------------------------------------------------------------------------------
#Copyright (C)
#2015- Eric C. Pellegrini Institut Laue-Langevin
#BP 156
#6, rue Jules Horowitz
#38042 Grenoble Cedex 9
#France
#pellegrini[at]ill.fr
#goret[at]ill.fr
#aoun[at]ill.fr
#
#This library is free software; you can redistribute it and/or
#modify it under the terms of the GNU Lesser General Public
#License as published by the Free Software Foundation; either
#version 2.1 of the License, or (at your option) any later version.
#
#This library is distributed in the hope that it will be useful,
#but WITHOUT ANY WARRANTY; without even the implied warranty of
#MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
#Lesser General Public License for more details.
#
#You should have received a copy of the GNU Lesser General Public
#License along with this library; if not, write to the Free Software
#Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA

''' 
Created on Jul 2, 2015

:author: Eric C. Pellegrini
'''

import os

import wx

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from MDANSE.Framework.Widgets.UserDefinitionWidget import UserDefinitionDialog, UserDefinitionWidget
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class PartialChargesWidget(UserDefinitionWidget):
        
    type = "partial_charges"
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if __name__ == "__main__":
    
    from MMTK.Trajectory import Trajectory
    
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    from MDANSE import PLATFORM
    
    t = Trajectory(None,os.path.join(PLATFORM.example_data_directory(),"Trajectories","MMTK","protein_in_periodic_universe.nc"),"r")
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    app = wx.App(False)
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    p = UserDefinitionDialog(None,t,'partial_charges')
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    p.SetSize((800,800))
            
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    p.ShowModal()
    
    p.Destroy()
    
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    app.MainLoop()