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