MainFrame.py 15.8 KB
Newer Older
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
#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 os
import sys
import webbrowser

import wx
import wx.aui as aui
eric pellegrini's avatar
test    
eric pellegrini committed
40
 
41
from MDANSE import LOGGER, PLATFORM, REGISTRY
42
from MDANSE.__pkginfo__ import __commit__, __version__
43
from MDANSE.Framework.Jobs.Converter import Converter
44
from MDANSE.GUI.ControllerPanel import ControllerPanel
45
from MDANSE.GUI.DataController import DATA_CONTROLLER
46
47
48
49
50
51
52
53
54
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.
    
eric pellegrini's avatar
eric pellegrini committed
55
    Redirect the exception information to the MDANSE logger at the ERROR level.
56
        
eric pellegrini's avatar
test    
eric pellegrini committed
57
58
    :param typ: the exception class.
    :type typ: exception
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
    
    @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)
                
83
    LOGGER(trace,'error',['console','dialog'])
84
85
86
87
88
89
90
91
92
93
        
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
94
95
        consoleHandler = REGISTRY['handler']['console'](self._panels["controller"].pages["logger"])
        LOGGER.add_handler("console", consoleHandler, level="info")
96
97
98
        LOGGER.add_handler("dialog", REGISTRY['handler']['dialog'](), level="error")
        LOGGER.start()
        
99
100
101
102
        # Redirect all output to the console logger
        sys.stdout = consoleHandler
        sys.stderr = consoleHandler
                
103
        sys.excepthook = excepthook
104
                 
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
    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.
125
126
127
128
129
130
131
132
        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)))
133
134
135
136
137
138
139
140
141
142
143
144
145

        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 = {}

146
147
148
        converters = [job for job in REGISTRY["job"].items() if issubclass(job[1],Converter)]
        converters = sorted(converters)
        for name,job in converters:
149
            item = converterMenu.Append(wx.ID_ANY,job.label)
150
            self._converters[job.label] = name
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
            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')
197
        periodicTableButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["periodic_table",32,32], 'Launch the periodic table viewer')
eric pellegrini's avatar
eric pellegrini committed
198
        elementsDatabaseButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["atom",32,32], 'Launch the elements database editor')
199
200
201
        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')
        registryButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["registry",32,32], 'Inspect MDANSE classes framework')
202
        templateButton = self._toolbar.AddSimpleTool(wx.ID_ANY, ICONS["template",32,32], 'Save a template for a new analysis')
203
204
205
206
207
208
209
210
211
212
213
214
        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)
215
216
        self.Bind(wx.EVT_MENU, self.on_open_periodic_table, periodicTableButton)
        self.Bind(wx.EVT_MENU, self.on_open_elements_database, elementsDatabaseButton)
217
218
219
        self.Bind(wx.EVT_MENU, self.on_start_plotter, plotButton)
        self.Bind(wx.EVT_MENU, self.on_open_user_definitions, udButton)
        self.Bind(wx.EVT_MENU, self.on_open_classes_registry, registryButton)
220
        self.Bind(wx.EVT_MENU, self.on_save_job_template, templateButton)
221
222
223
224
225
226
227
228
229
230
231
232
233
        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):
234
                                
235
        about_str = \
236
"""MDANSE version %s (commit %s).
237
238
239
240
241
242
243

An interactive program for analyzing Molecular Dynamics simulations.

Authors:
\tEric C. Pellegrini
\tGael Goret
\tBachir Aoun
244
""" % (__version__,__commit__)
245
246
247
248
249
250
251
        
        d = wx.MessageDialog(self, about_str, 'About', style=wx.OK|wx.ICON_INFORMATION)
        d.ShowModal()
        d.Destroy()

    def on_bug_report(self, event=None):

252
        webbrowser.open("mailto:mdanse@ill.fr?subject=MDANSE query")        
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274

    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):
        
275
        from MDANSE.GUI.RegistryViewer import RegistryViewer
276
        
277
        f = RegistryViewer(self)
278
        
279
280
281
        f.ShowModal()
        
        f.Destroy()
282
283
284
285
286
287
288
289
290
291
        
    def on_save_job_template(self,event):
        
        from MDANSE.GUI.JobTemplateEditor import JobTemplateEditor
        
        f = JobTemplateEditor(self)
        
        f.ShowModal()
        
        f.Destroy()
292
293
294
295

    def on_open_api(self, event):
        
        mainHTML = os.path.join(PLATFORM.api_path(),'MDANSE.html')
296
        
297
        if os.path.exists(mainHTML):
298
            webbrowser.open("file://%s" % mainHTML)
299
300
301
302
303
        else:
            LOGGER("Can not open MDANSE API. Maybe the documentation was not properly installed.", "error",['dialog'])
            
    def on_load_data(self, event=None):

304
        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)
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
                
        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)
                
322
        LOGGER("Data %r successfully loaded." % filename, "info", ["console"])
323
324
325
                                                            
    def on_open_user_definitions(self,event):
        
326
        from MDANSE.GUI.UserDefinitionViewer import UserDefinitionViewer
327
        
328
        f = UserDefinitionViewer(self)
329
330
        f.ShowModal()
        f.Destroy()
331
332
333

    def on_open_converter(self,event):

334
        from MDANSE.GUI.Plugins.JobPlugin import JobFrame
335

336
        item = self.GetMenuBar().FindItemById(event.GetId())
337
        converter = item.GetText()
338
                        
339
        f = JobFrame(self,self._converters[converter],os.path.join(PLATFORM.home_directory(),"trajectory_conversion.nc"))
340
341
        f.Show()

342
    def on_open_periodic_table(self, event):
343

344
        from MDANSE.GUI.PeriodicTableViewer import PeriodicTableViewer
345
                
346
        f = PeriodicTableViewer(self)
347
348
349
        
        f.Show()

350
351
352
353
354
355
356
357
    def on_open_elements_database(self, event):

        from MDANSE.GUI.ElementsDatabaseEditor import ElementsDatabaseEditor
                
        f = ElementsDatabaseEditor(self)
        
        f.Show()

358
359
    def on_open_mdanse_url(self, event):

360
        webbrowser.open('http://mdanse.org')
361
362
363
364
365
366
367
368
369

    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()
                                                                         
    def on_start_plotter(self, event = None):

370
        from MDANSE.GUI.Plugins.PlotterPlugin import PlotterFrame
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
        
        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):

396
397
        self._prevSize = self.GetSize()

398
        if self.GetToolBar():
399
            sizeH = self._prevSize[1] - self._toolbar.GetSize()[1]
400
            self._toolbar.Hide()
401
402
            self.SetToolBar(None)
        else:
403
            sizeH = self._prevSize[1] + self._toolbar.GetSize()[1]
404
            self.SetToolBar(self._toolbar)
405
406
407
408
            self._toolbar.Show()
            
        self.SetSize((-1,sizeH))
            
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
    @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__":
    
424
425
426
    from MDANSE.GUI.Apps import MainApplication
    
    app = MainApplication(None)
427
    app.MainLoop()