Added DFTB converter

Update the setup with automatic documentation build

.gitignore

 /.project
 /.pydevproject
+/build/
+*.pyc

MDANSE/App/GUI/MainFrame.py

@@ -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/Framework/Jobs/Converters/DFTB.py

+#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

MDANSE/Framework/Jobs/Converters/Discover.py

@@ -231,7 +231,7 @@ class DiscoverConverter(Converter):
     
     label = "Discover"
 
-    category = ('Converters',)
+    category = ('Converters','Materials Studio')
     
     ancestor = None
 

MDANSE/Framework/Jobs/Converters/Forcite.py

@@ -281,7 +281,7 @@ class ForciteConverter(Converter):
     
     label = "Forcite"
 
-    category = ('Converters',)
+    category = ('Converters','Materials Studio')
     
     ancestor = None