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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 Apr 14, 2015
:author: Bachir Aoun, Gael Goret and Eric C. Pellegrini
'''
import collections
import operator
import os
import sys
import webbrowser
import wx
import wx.aui as aui
from MDANSE import DATA_CONTROLLER, LOGGER, PLATFORM, REGISTRY
from MDANSE.__pkginfo__ import __version__, __revision__
from MDANSE.Framework.Jobs.Converters.Converter import Converter
from MDANSE.GUI.ControllerPanel import ControllerPanel
from MDANSE.GUI.DataTreePanel import DataTreePanel
from MDANSE.GUI.Icons import ICONS
from MDANSE.GUI.PluginsTreePanel import PluginsTreePanel
from MDANSE.GUI.WorkingPanel import WorkingPanel
def excepthook(error, message, tback):
'''
Called when an exception is raised and uncaught.
Redirect the exception information to the MDANSE logger at the ERROR level.
@param value: the exception instance.
@type value: exception
@param tback: the traceback.
@type tback: traceback instance
'''
import traceback
from MDANSE.Core.Error import Error
tback = traceback.extract_tb(tback)
trace = []
if not issubclass(error, Error):
for tb in tback:
trace.append(' -- '.join([str(t) for t in tb]))
trace.append("\n%s: %s" % (error.__name__,message))
trace = '\n'.join(trace)
LOGGER(trace,'error',['console','dialog'])
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class MainFrame(wx.Frame):
def __init__(self, parent, title="MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments"):
wx.Frame.__init__(self, parent, wx.ID_ANY, title, size = (1200,800))
self.build_dialog()
# Add some handlers to the loggers
LOGGER.add_handler("console", REGISTRY['handler']['console'](self._panels["controller"].pages["logger"]), level="info")
LOGGER.add_handler("dialog", REGISTRY['handler']['dialog'](), level="error")
LOGGER.start()
sys.excepthook = excepthook
def build_dialog(self):
self.build_menu()
self.build_toolbar()
icon = wx.EmptyIcon()
icon.CopyFromBitmap(ICONS["mdanse",32,32])
self.SetIcon(icon)
# The main aui manager.
self._mgr = aui.AuiManager(self)
self._panels = {}
self._panels["data"] = DataTreePanel(self)
self._panels["plugins"] = PluginsTreePanel(self)
self._panels["working"] = WorkingPanel(self)
self._panels["controller"] = ControllerPanel(self)
# Add the panes corresponding to the tree control and the notebook.
paneInfo1=aui.AuiPaneInfo()
self._mgr.AddPane(self._panels["data"], paneInfo1.Caption("Data").Name("data").Left().CloseButton(True).DestroyOnClose(False).MinSize((250,-1)))
paneInfo2=aui.AuiPaneInfo()
self._mgr.AddPane(self._panels["plugins"], paneInfo2.Caption("Plugins").Name("plugins").Left().CloseButton(True).DestroyOnClose(False).MinSize((250,-1)))
paneInfo3=aui.AuiPaneInfo()
self._mgr.AddPane(self._panels["working"], paneInfo3.Caption("Working panel").Name("working").Center().CloseButton(False))
paneInfo4=aui.AuiPaneInfo()
self._mgr.AddPane(self._panels["controller"], paneInfo4.Name("controller").Name("controller").Floatable().Right().Bottom().CloseButton(True).DestroyOnClose(False).MinSize((-1,120)))
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self._mgr.Update()
def build_menu(self):
self._mainMenu = wx.MenuBar()
fileMenu = wx.Menu()
loadDataItem = fileMenu.Append(wx.ID_ANY, 'Load data')
fileMenu.AppendSeparator()
converterMenu = wx.Menu()
self._converters = {}
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()
quitItem = fileMenu.Append(wx.ID_ANY, 'Quit')
self._mainMenu.Append(fileMenu, 'File')
viewMenu = wx.Menu()
showDataTreeItem = viewMenu.Append(wx.ID_ANY, "Toggle data tree")
showPluginsTreeItem = viewMenu.Append(wx.ID_ANY, "Toggle plugins tree")
showControllerItem = viewMenu.Append(wx.ID_ANY, "Toggle controller")
viewMenu.AppendSeparator()
showToolbarItem = viewMenu.Append(wx.ID_ANY, "Toggle toolbar")
self._mainMenu.Append(viewMenu, 'View')
helpMenu = wx.Menu()
aboutItem = helpMenu.Append(wx.ID_ANY, 'About')
helpMenu.AppendSeparator()
simpleHelpItem = helpMenu.Append(wx.ID_ANY, 'Simple help')
theoryHelpItem = helpMenu.Append(wx.ID_ANY, 'Theoretical background')
helpMenu.AppendSeparator()
bugReportItem = helpMenu.Append(wx.ID_ANY, 'Bug report')
self._mainMenu.Append(helpMenu, 'Help')
self.SetMenuBar(self._mainMenu)
self.Bind(wx.EVT_CLOSE, self.on_quit)
self.Bind(wx.EVT_MENU, self.on_load_data, loadDataItem)
self.Bind(wx.EVT_MENU, self.on_quit, quitItem)
self.Bind(wx.EVT_MENU, self.on_about, aboutItem)
self.Bind(wx.EVT_MENU, self.on_toggle_data_tree, showDataTreeItem)
self.Bind(wx.EVT_MENU, self.on_toggle_plugins_tree, showPluginsTreeItem)
self.Bind(wx.EVT_MENU, self.on_toggle_controller, showControllerItem)
self.Bind(wx.EVT_MENU, self.on_toggle_toolbar, showToolbarItem)
self.Bind(wx.EVT_MENU, self.on_bug_report, bugReportItem)
self.Bind(wx.EVT_MENU, self.on_simple_help, simpleHelpItem)
self.Bind(wx.EVT_MENU, self.on_theory_help, theoryHelpItem)
def build_toolbar(self):
self._toolbar = self.CreateToolBar()
loadDataButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["load",32,32], 'Load a trajectory')
periodicTableButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["periodic_table",32,32], 'Launch the periodic table viewer')
elementsDatabaseButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["atom",32,32], 'Launch the elements database editor')
plotButton = self._toolbar.AddSimpleTool(wx.ID_ANY,ICONS["plot",32,32], 'Launch the NetCDF plotter')
udButton = self._toolbar.AddSimpleTool(wx.ID_ANY,ICONS["user",32,32], 'Launch the user definitions editor')

eric pellegrini
committed
# preferencesButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["preferences",32,32], 'Launch the preferences editor')
registryButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["registry",32,32], 'Inspect MDANSE classes framework')
templateButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["template",32,32], 'Save a template for a new analysis')
apiButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["api",32,32], 'Open MDANSE API')
websiteButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["web",32,32], 'Open MDANSE website')
aboutButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["about",32,32], 'About MDANSE')
bugButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["bug",32,32], 'Bug report')
quitButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["quit",32,32], 'Quit MDANSE')
self._toolbar.Realize()
self.SetToolBar(self._toolbar)
# The toolbar-related events handlers.
self.Bind(wx.EVT_MENU, self.on_load_data, loadDataButton)
self.Bind(wx.EVT_MENU, self.on_open_periodic_table, periodicTableButton)
self.Bind(wx.EVT_MENU, self.on_open_elements_database, elementsDatabaseButton)
self.Bind(wx.EVT_MENU, self.on_start_plotter, plotButton)

eric pellegrini
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# self.Bind(wx.EVT_MENU, self.on_set_preferences, preferencesButton)
self.Bind(wx.EVT_MENU, self.on_open_user_definitions, udButton)
self.Bind(wx.EVT_MENU, self.on_open_classes_registry, registryButton)
self.Bind(wx.EVT_MENU, self.on_save_job_template, templateButton)
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self.Bind(wx.EVT_MENU, self.on_about, aboutButton)
self.Bind(wx.EVT_MENU, self.on_quit, quitButton)
self.Bind(wx.EVT_MENU, self.on_open_api, apiButton)
self.Bind(wx.EVT_MENU, self.on_open_mdanse_url, websiteButton)
self.Bind(wx.EVT_MENU, self.on_bug_report, bugButton)
def load_data(self,typ,filename):
data = REGISTRY["input_data"][typ](filename)
DATA_CONTROLLER[data.filename] = data
def on_about(self, event=None):
if __revision__ is "undefined":
rev=""
else:
rev=" (%s)" % __revision__
about_str = \
"""MDANSE version %s%s.
An interactive program for analyzing Molecular Dynamics simulations.
Authors:
\tEric C. Pellegrini
\tGael Goret
\tBachir Aoun
""" % (__version__,rev)
d = wx.MessageDialog(self, about_str, 'About', style=wx.OK|wx.ICON_INFORMATION)
d.ShowModal()
d.Destroy()
def on_bug_report(self, event=None):
report_str = \
"""The version 1 of MDANSE is currently under testing.
In order to facilitate the integration of new features and bug fixes, please send pull request to:
https://github.com/mdanseproject/MDANSE/tree/master/MDANSE
for any other request, please send an email to:
\tpellegrini@ill.fr
\tgonzalezm@ill.fr
\tjohnson@ill.fr
or directly to the MDANSE mailing list:
\tmdanse@ill.fr
"""
d = wx.MessageDialog(self, report_str, 'Bug report', style=wx.OK|wx.ICON_INFORMATION)
d.ShowModal()
d.Destroy()
def on_simple_help(self,event):
path = os.path.join(PLATFORM.doc_path(),'simple_help.txt')
with open(path,'r') as f:
info = f.read()
frame = wx.Frame(self, style=wx.DEFAULT_DIALOG_STYLE|wx.MINIMIZE_BOX|wx.MAXIMIZE_BOX|wx.RESIZE_BORDER)
panel = wx.Panel(frame,wx.ID_ANY)
sizer = wx.BoxSizer(wx.VERTICAL)
text = wx.TextCtrl(panel,wx.ID_ANY,style=wx.TE_MULTILINE|wx.TE_WORDWRAP|wx.TE_READONLY)
text.SetValue(info)
sizer.Add(text,1,wx.ALL|wx.EXPAND,5)
panel.SetSizer(sizer)
frame.Show()
def on_theory_help(self,event):
webbrowser.open(os.path.join(PLATFORM.doc_path(),'theory_help.pdf'))
def on_open_classes_registry(self,event):
from MDANSE.GUI.RegistryViewer import RegistryViewer
f = RegistryViewer(self)
f.ShowModal()
f.Destroy()
def on_save_job_template(self,event):
from MDANSE.GUI.JobTemplateEditor import JobTemplateEditor
f = JobTemplateEditor(self)
f.ShowModal()
f.Destroy()
def on_open_api(self, event):
mainHTML = os.path.join(PLATFORM.api_path(),'MDANSE.html')
if os.path.exists(mainHTML):
webbrowser.open("file://%s" % mainHTML)
else:
LOGGER("Can not open MDANSE API. Maybe the documentation was not properly installed.", "error",['dialog'])
def on_load_data(self, event=None):
wildcards = collections.OrderedDict([kls.type, "%s (*.%s)|*.%s" % (kls.type,kls.extension,kls.extension)] for kls in REGISTRY["input_data"].values() if kls.extension is not None)
dialog = wx.FileDialog ( None, message='Open data ...', wildcard="|".join(wildcards.values()), style=wx.OPEN)
if dialog.ShowModal() == wx.ID_CANCEL:
return ""
idx = dialog.GetFilterIndex()
dataType = wildcards.keys()[idx]
filename = dialog.GetPath()
if not filename:
return
self.load_data(dataType,filename)
LOGGER("Data %r successfully loaded." % filename, "info", ["console"])
def on_open_user_definitions(self,event):
from MDANSE.GUI.UserDefinitionViewer import UserDefinitionViewer
f = UserDefinitionViewer(self)
f.ShowModal()
f.Destroy()
def on_open_converter(self,event):
from MDANSE.Framework.Plugins.JobPlugin import JobFrame
item = self.GetMenuBar().FindItemById(event.GetId())
converter = item.GetText()
f = JobFrame(self,self._converters[converter],"Trajectory converter")
f.Show()
def on_open_periodic_table(self, event):
from MDANSE.GUI.PeriodicTableViewer import PeriodicTableViewer
f = PeriodicTableViewer(self)
f.Show()
def on_open_elements_database(self, event):
from MDANSE.GUI.ElementsDatabaseEditor import ElementsDatabaseEditor
f = ElementsDatabaseEditor(self)
f.Show()
def on_open_mdanse_url(self, event):
webbrowser.open('https://github.com/eurydyce/MDANSE/tree/master/MDANSE')
def on_quit(self, event=None):
d = wx.MessageDialog(None, 'Do you really want to quit ?', 'Question', wx.YES_NO|wx.YES_DEFAULT|wx.ICON_QUESTION)
if d.ShowModal() == wx.ID_YES:
self.Destroy()

eric pellegrini
committed
# def on_set_preferences(self, event):
#
# from MDANSE.GUI.PreferencesSettings import PreferencesSettings
#
# d = PreferencesSettings(self)
#
# d.ShowModal()
#
# d.Destroy()
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def on_start_plotter(self, event = None):
from MDANSE.Framework.Plugins.Plotter.PlotterPlugin import PlotterFrame
f = PlotterFrame(self)
f.Show()
def on_toggle_controller(self, event=None):
pane = self._mgr.GetPane("controller")
self.toggle_window(pane)
def on_toggle_data_tree(self, event=None):
pane = self._mgr.GetPane("data")
self.toggle_window(pane)
def on_toggle_plugins_tree(self, event = None):
pane = self._mgr.GetPane("plugins")
self.toggle_window(pane)
def on_toggle_toolbar(self, event=None):
self._prevSize = self.GetSize()
if self.GetToolBar():
sizeH = self._prevSize[1] - self._toolbar.GetSize()[1]
self._toolbar.Hide()
self.SetToolBar(None)
else:
sizeH = self._prevSize[1] + self._toolbar.GetSize()[1]
self.SetToolBar(self._toolbar)
self._toolbar.Show()
self.SetSize((-1,sizeH))
@property
def panels(self):
return self._panels
def toggle_window(self, window):
if window.IsShown():
window.Hide()
else:
window.Show()
self._mgr.Update()
if __name__ == "__main__":
app = wx.App(False)
f = MainFrame(None)
f.Show()
app.MainLoop()