Source Code for Module gui.components.spectrum

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2009-2011 Michael Bieri                                       # 
  4  # Copyright (C) 2010-2012 Edward d'Auvergne                                   # 
  5  #                                                                             # 
  6  # This file is part of the program relax.                                     # 
  7  #                                                                             # 
  8  # relax is free software; you can redistribute it and/or modify               # 
  9  # it under the terms of the GNU General Public License as published by        # 
 10  # the Free Software Foundation; either version 2 of the License, or           # 
 11  # (at your option) any later version.                                         # 
 12  #                                                                             # 
 13  # relax is distributed in the hope that it will be useful,                    # 
 14  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
 15  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
 16  # GNU General Public License for more details.                                # 
 17  #                                                                             # 
 18  # You should have received a copy of the GNU General Public License           # 
 19  # along with relax; if not, write to the Free Software                        # 
 20  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
 21  #                                                                             # 
 22  ############################################################################### 
 23   
 24  # Module docstring. 
 25  """Module containing the classes for GUI components involving spectral data.""" 
 26   
 27  # Python module imports. 
 28  import wx 
 29  import wx.lib.buttons 
 30   
 31  # relax module imports. 
 32  from status import Status; status = Status() 
 33  from generic_fns.spectrum import replicated_flags, replicated_ids 
 34  from graphics import fetch_icon 
 35  from user_functions.data import Uf_info; uf_info = Uf_info() 
 36   
 37  # relax GUI module imports. 
 38  from gui.components.base_list import Base_list 
 39  from gui.components.menu import build_menu_item 
 40  from gui.fonts import font 
 41  from gui.misc import add_border 
 42  from gui.string_conv import float_to_gui, gui_to_str, str_to_gui 
 43  from gui.uf_objects import Uf_storage; uf_store = Uf_storage() 
 44   
 45   
 46 -class Spectra_list(Base_list): 
 47      """The GUI element for listing loaded spectral data.""" 
 48   
 49 -    def __init__(self, gui=None, parent=None, box=None, id=None, fn_add=None, proportion=0, button_placement='default'): 
 50          """Build the spectral list GUI element. 
 51   
 52          @keyword gui:               The main GUI object. 
 53          @type gui:                  wx.Frame instance 
 54          @keyword parent:            The parent GUI element that this is to be attached to (the panel object). 
 55          @type parent:               wx object 
 56          @keyword data:              The data storage container. 
 57          @type data:                 class instance 
 58          @keyword box:               The vertical box sizer to pack this GUI component into. 
 59          @type box:                  wx.BoxSizer instance 
 60          @keyword id:                A unique identification string.  This is used to register the update method with the GUI user function observer object. 
 61          @type id:                   str 
 62          @keyword fn_add:            The function to execute when clicking on the 'Add' button. 
 63          @type fn_add:               func 
 64          @keyword proportion:        The window proportion parameter. 
 65          @type proportion:           bool 
 66          @keyword button_placement:  Override the button visibility and placement.  The value of 'default' will leave the buttons at the default setting.  The value of 'top' will place the buttons at the top, 'bottom' will place them at the bottom, and None will turn off the buttons. 
 67          @type button_placement:     str or None 
 68          """ 
 69   
 70          # Store the arguments. 
 71          self.fn_add = fn_add 
 72   
 73          # Initialise the base class. 
 74          super(Spectra_list, self).__init__(gui=gui, parent=parent, box=box, id=id, proportion=proportion, button_placement=button_placement) 
 75   
 76   
 77 -    def action_relax_fit_relax_time(self, event): 
 78          """Launch the relax_fit.relax_time user function. 
 79   
 80          @param event:   The wx event. 
 81          @type event:    wx event 
 82          """ 
 83   
 84          # The current selection. 
 85          item = self.element.GetFirstSelected() 
 86   
 87          # The spectrum ID. 
 88          id = gui_to_str(self.element.GetItemText(item)) 
 89   
 90          # The current time. 
 91          time = None 
 92          if hasattr(cdp, 'relax_times') and id in cdp.relax_times.keys(): 
 93              time = cdp.relax_times[id] 
 94   
 95          # Launch the dialog. 
 96          if time == None: 
 97              uf_store['relax_fit.relax_time'](spectrum_id=id) 
 98          else: 
 99              uf_store['relax_fit.relax_time'](time=time, spectrum_id=id) 
100   
101   
102 -    def action_spectrum_baseplane_rmsd(self, event): 
103          """Launch the spectrum.baseplane_rmsd user function. 
104   
105          @param event:   The wx event. 
106          @type event:    wx event 
107          """ 
108   
109          # The current selection. 
110          item = self.element.GetFirstSelected() 
111   
112          # The spectrum ID. 
113          id = gui_to_str(self.element.GetItemText(item)) 
114   
115          # Launch the dialog. 
116          uf_store['spectrum.baseplane_rmsd'](spectrum_id=id) 
117   
118   
119 -    def action_spectrum_delete(self, event): 
120          """Launch the spectrum.delete user function. 
121   
122          @param event:   The wx event. 
123          @type event:    wx event 
124          """ 
125   
126          # The current selection. 
127          item = self.element.GetFirstSelected() 
128   
129          # No selection. 
130          if item == -1: 
131              id = None 
132   
133          # Selected item. 
134          else: 
135              # The spectrum ID. 
136              id = gui_to_str(self.element.GetItemText(item)) 
137   
138          # Launch the dialog. 
139          uf_store['spectrum.delete'](spectrum_id=id) 
140   
141   
142 -    def action_spectrum_integration_points(self, event): 
143          """Launch the spectrum.integration_points user function. 
144   
145          @param event:   The wx event. 
146          @type event:    wx event 
147          """ 
148   
149          # The current selection. 
150          item = self.element.GetFirstSelected() 
151   
152          # The spectrum ID. 
153          id = gui_to_str(self.element.GetItemText(item)) 
154   
155          # Launch the dialog. 
156          uf_store['spectrum.integration_points'](spectrum_id=id) 
157   
158   
159 -    def action_spectrum_replicated(self, event): 
160          """Launch the spectrum.replicated user function. 
161   
162          @param event:   The wx event. 
163          @type event:    wx event 
164          """ 
165   
166          # The current selection. 
167          item = self.element.GetFirstSelected() 
168   
169          # The spectrum ID. 
170          id = gui_to_str(self.element.GetItemText(item)) 
171   
172          # The current replicates. 
173          replicates = replicated_ids(id) 
174   
175          # Launch the dialog. 
176          if replicates == []: 
177              uf_store['spectrum.replicated'](spectrum_ids=id) 
178          else: 
179              uf_store['spectrum.replicated'](spectrum_ids=replicates) 
180   
181   
182 -    def noe_spectrum_type(self, index): 
183          """Add the NOE spectral type info to the element. 
184   
185          @param index:   The column index for the data. 
186          @type index:    int 
187          @return:        True if a spectrum type exists, False otherwise. 
188          @rtype:         bool 
189          """ 
190   
191          # No type info. 
192          if not hasattr(cdp, 'spectrum_type') or not len(cdp.spectrum_type): 
193              return False 
194   
195          # Append a column. 
196          self.element.InsertColumn(index, str_to_gui("NOE spectrum type")) 
197   
198          # Translation table. 
199          table = { 
200              'sat': 'Saturated', 
201              'ref': 'Reference' 
202          } 
203   
204          # Set the values. 
205          for i in range(len(cdp.spectrum_ids)): 
206              # No value. 
207              if cdp.spectrum_ids[i] not in cdp.spectrum_type.keys(): 
208                  continue 
209   
210              # Set the value. 
211              self.element.SetStringItem(i, index, str_to_gui(table[cdp.spectrum_type[cdp.spectrum_ids[i]]])) 
212   
213          # Successful. 
214          return True 
215   
216   
217 -    def relax_times(self, index): 
218          """Add the relaxation delay time info to the element. 
219   
220          @param index:   The column index for the data. 
221          @type index:    int 
222          @return:        True if relaxation times exist, False otherwise. 
223          @rtype:         bool 
224          """ 
225   
226          # No type info. 
227          if not hasattr(cdp, 'relax_times') or not len(cdp.relax_times): 
228              return False 
229   
230          # Append a column. 
231          self.element.InsertColumn(index, str_to_gui("Delay times")) 
232   
233          # Set the values. 
234          for i in range(len(cdp.spectrum_ids)): 
235              # No value. 
236              if cdp.spectrum_ids[i] not in cdp.relax_times.keys(): 
237                  continue 
238   
239              # Set the value. 
240              self.element.SetStringItem(i, index, float_to_gui(cdp.relax_times[cdp.spectrum_ids[i]])) 
241   
242          # Successful. 
243          return True 
244   
245   
246 -    def replicates(self, index): 
247          """Add the replicated spectra info to the element. 
248   
249          @param index:   The column index for the data. 
250          @type index:    int 
251          @return:        True if relaxation times exist, False otherwise. 
252          @rtype:         bool 
253          """ 
254   
255          # No type info. 
256          if not hasattr(cdp, 'replicates') or not len(cdp.replicates): 
257              return False 
258   
259          # Replicated spectra. 
260          repl = replicated_flags() 
261   
262          # Append a column. 
263          self.element.InsertColumn(index, str_to_gui("Replicate IDs")) 
264   
265          # Set the values. 
266          for i in range(len(cdp.spectrum_ids)): 
267              # No replicates. 
268              if not repl[cdp.spectrum_ids[i]]: 
269                  continue 
270   
271              # The replicated spectra. 
272              id_list = replicated_ids(cdp.spectrum_ids[i]) 
273   
274              # Convert to a string. 
275              text = '' 
276              for j in range(len(id_list)): 
277                  # Add the id. 
278                  text = "%s%s" % (text, id_list[j]) 
279   
280                  # Separator. 
281                  if j < len(id_list)-1: 
282                      text = "%s, " % text 
283   
284              # Set the value. 
285              self.element.SetStringItem(i, index, str_to_gui(text)) 
286   
287          # Successful. 
288          return True 
289   
290   
291 -    def setup(self): 
292          """Override the base variables.""" 
293   
294          # GUI variables. 
295          self.title = "Spectra list" 
296          self.observer_base_name = "spectra list" 
297   
298          # The column titles. 
299          self.columns = [] 
300   
301          # Button set up. 
302          self.button_placement = 'top' 
303          self.button_info = [ 
304              { 
305                  'object': 'button_add', 
306                  'label': ' Add', 
307                  'icon': fetch_icon('oxygen.actions.list-add-relax-blue', "22x22"), 
308                  'method': self.fn_add, 
309                  'tooltip': "Read a spectral data file." 
310              }, { 
311                  'object': 'button_delete', 
312                  'label': ' Delete', 
313                  'icon': fetch_icon('oxygen.actions.list-remove', "22x22"), 
314                  'method': self.action_spectrum_delete, 
315                  'tooltip': "Delete loaded relaxation data from the relax data store." 
316              } 
317          ] 
318   
319          # The right click popup menu. 
320          self.popup_menus = [ 
321              { 
322                  'id': wx.NewId(), 
323                  'text': "Set the &baseplane RMSD", 
324                  'icon': fetch_icon(uf_info.get_uf('spectrum.baseplane_rmsd').gui_icon), 
325                  'method': self.action_relax_fit_relax_time 
326              }, { 
327                  'id': wx.NewId(), 
328                  'text': "&Delete the peak intensities", 
329                  'icon': fetch_icon(uf_info.get_uf('spectrum.delete').gui_icon), 
330                  'method': self.action_spectrum_baseplane_rmsd 
331              }, { 
332                  'id': wx.NewId(), 
333                  'text': "Set the number of integration &points", 
334                  'icon': fetch_icon(uf_info.get_uf('spectrum.integration_points').gui_icon), 
335                  'method': self.action_spectrum_delete 
336              }, { 
337                  'id': wx.NewId(), 
338                  'text': "Specify which spectra are &replicated", 
339                  'icon': fetch_icon(uf_info.get_uf('spectrum.replicated').gui_icon), 
340                  'method': self.action_spectrum_integration_points 
341              }, { 
342                  'id': wx.NewId(), 
343                  'text': "Set the relaxation &time", 
344                  'icon': fetch_icon(uf_info.get_uf('relax_fit.relax_time').gui_icon), 
345                  'method': self.action_spectrum_replicated 
346              } 
347          ] 
348   
349   
350 -    def update_data(self): 
351          """Method called from self.build_element_safe() to update the list data.""" 
352   
353          # Initialise the column index for the data. 
354          index = 1 
355   
356          # Delete the rows and columns. 
357          self.element.DeleteAllItems() 
358          self.element.DeleteAllColumns() 
359   
360          # Initialise to a single column. 
361          self.element.InsertColumn(0, str_to_gui("Spectrum ID string")) 
362   
363          # Expand the number of rows to match the number of spectrum IDs, and add the IDs. 
364          n = 0 
365          if hasattr(cdp, 'spectrum_ids'): 
366              # The number of IDs. 
367              n = len(cdp.spectrum_ids) 
368   
369              # Set the IDs. 
370              for i in range(n): 
371                  self.element.InsertStringItem(i, str_to_gui(cdp.spectrum_ids[i])) 
372   
373          # The NOE spectrum type. 
374          if self.noe_spectrum_type(index): 
375              index += 1 
376   
377          # The relaxation times. 
378          if self.relax_times(index): 
379              index += 1 
380   
381          # The replicated spectra. 
382          if self.replicates(index): 
383              index += 1 
384