Commit 27a5e8cb authored by eric pellegrini's avatar eric pellegrini

Added DFTB converter

Update the setup with automatic documentation build
parent cb9fb041
/.project
/.pydevproject
/build/
*.pyc
MDANSE/App/GUI/Icons/registry.png

258 KB | W: | H:

MDANSE/App/GUI/Icons/registry.png

12.6 KB | W: | H:

MDANSE/App/GUI/Icons/registry.png
MDANSE/App/GUI/Icons/registry.png
MDANSE/App/GUI/Icons/registry.png
MDANSE/App/GUI/Icons/registry.png
  • 2-up
  • Swipe
  • Onion skin
......@@ -31,6 +31,7 @@ Created on Apr 14, 2015
'''
import collections
import operator
import os
import webbrowser
......@@ -98,11 +99,13 @@ class MainFrame(wx.Frame):
fileMenu.AppendSeparator()
converterMenu = wx.Menu()
self._converters = {}
for job in REGISTRY["job"].values():
if issubclass(job, Converter):
item = converterMenu.Append(wx.ID_ANY,job.label)
self._converters[job.label] = job.type
self.Bind(wx.EVT_MENU, self.on_open_converter, item)
converters = [job for job in REGISTRY["job"].values() if issubclass(job,Converter)]
converters = sorted(converters, key = operator.attrgetter('label'))
for job in converters:
item = converterMenu.Append(wx.ID_ANY,job.label)
self._converters[job.label] = job.type
self.Bind(wx.EVT_MENU, self.on_open_converter, item)
fileMenu.AppendMenu(wx.ID_ANY,'Trajectory converters',converterMenu)
fileMenu.AppendSeparator()
......
#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 Jun 4, 2015
:author: Eric C. Pellegrini
'''
from MDANSE.Framework.Jobs.Converters.Forcite import ForciteConverter
class DFTBConverter(ForciteConverter):
"""
Converts a DFTB trajectory to a MMTK trajectory.
"""
type = 'dftb'
label = "DFTB"
\ No newline at end of file
......@@ -231,7 +231,7 @@ class DiscoverConverter(Converter):
label = "Discover"
category = ('Converters',)
category = ('Converters','Materials Studio')
ancestor = None
......
......@@ -281,7 +281,7 @@ class ForciteConverter(Converter):
label = "Forcite"
category = ('Converters',)
category = ('Converters','Materials Studio')
ancestor = None
......
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