Source Code for Module gui.components.molecule

  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 molecules.""" 
 26   
 27  # Python module imports. 
 28  import wx 
 29  import wx.lib.buttons 
 30   
 31  # relax module imports. 
 32  from generic_fns.mol_res_spin import molecule_loop, return_molecule 
 33  from graphics import fetch_icon 
 34  from status import Status; status = Status() 
 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.string_conv import gui_to_str, str_to_gui 
 40  from gui.uf_objects import Uf_storage; uf_store = Uf_storage() 
 41   
 42   
 43 -class Molecule(Base_list): 
 44      """The GUI element for listing loaded molecules.""" 
 45   
 46 -    def action_bmrb_thiol_state(self, event): 
 47          """Launch the bmrb.thiol_state user function. 
 48   
 49          @param event:   The wx event. 
 50          @type event:    wx event 
 51          """ 
 52   
 53          # The current selection. 
 54          item = self.element.GetFirstSelected() 
 55   
 56          # The current state. 
 57          state = None 
 58          if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
 59              state = cdp.exp_info.thiol_state 
 60   
 61          # Launch the dialog. 
 62          if state == None: 
 63              uf_store['bmrb.thiol_state'](wx_parent=self.parent) 
 64          else: 
 65              uf_store['bmrb.thiol_state'](wx_parent=self.parent, state=state) 
 66   
 67   
 68 -    def action_molecule_name(self, event): 
 69          """Launch the molecule.name user function. 
 70   
 71          @param event:   The wx event. 
 72          @type event:    wx event 
 73          """ 
 74   
 75          # The current selection. 
 76          item = self.element.GetFirstSelected() 
 77   
 78          # The spectrum ID. 
 79          id = gui_to_str(self.element.GetItemText(item)) 
 80   
 81          # Launch the dialog. 
 82          uf_store['molecule.name'](wx_parent=self.parent, mol_id=id) 
 83   
 84   
 85 -    def action_molecule_type(self, event): 
 86          """Launch the molecule.type user function. 
 87   
 88          @param event:   The wx event. 
 89          @type event:    wx event 
 90          """ 
 91   
 92          # The current selection. 
 93          item = self.element.GetFirstSelected() 
 94   
 95          # The spectrum ID. 
 96          id = gui_to_str(self.element.GetItemText(item)) 
 97   
 98          # The current type. 
 99          type = None 
100          mol = return_molecule(id) 
101          if hasattr(mol, 'type') and mol.type != None: 
102              type = mol.type 
103   
104          # Launch the dialog. 
105          if type == None: 
106              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id) 
107          else: 
108              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id, type=type) 
109   
110   
111 -    def is_complete(self): 
112          """Determine if the data input is complete. 
113   
114          @return:    The answer to the question. 
115          @rtype:     bool 
116          """ 
117   
118          # Loop over the molecules. 
119          for mol in molecule_loop(): 
120              # No name. 
121              if mol.name == None: 
122                  return False 
123   
124              # No molecule type. 
125              if not hasattr(mol, 'type') or mol.type == None: 
126                  return False 
127   
128              # No thiol state. 
129              if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'thiol_state'): 
130                  return False 
131   
132          # Data input is complete. 
133          return True 
134   
135   
136 -    def set_box_label(self): 
137          """Set the label of the StaticBox.""" 
138   
139          # Determine if the data input is complete. 
140          label = self.title 
141          if self.is_complete(): 
142              label += " (complete)" 
143          else: 
144              label += " (incomplete)" 
145   
146          # Set the label. 
147          self.data_box.SetLabel(label) 
148   
149   
150 -    def setup(self): 
151          """Override the base variables.""" 
152   
153          # GUI variables. 
154          self.title = "Molecule information" 
155          self.observer_base_name = "molecule" 
156          self.button_placement = None 
157   
158          # The column titles. 
159          self.columns = [ 
160              "ID string", 
161              "Name", 
162              "Type", 
163              "Thiol state" 
164          ] 
165   
166          # The right click popup menu. 
167          self.popup_menus = [ 
168              { 
169                  'id': wx.NewId(), 
170                  'text': "&Name the molecule", 
171                  'icon': fetch_icon(uf_info.get_uf('molecule.name').gui_icon), 
172                  'method': self.action_molecule_name 
173              }, { 
174                  'id': wx.NewId(), 
175                  'text': "Set the molecule &type", 
176                  'icon': fetch_icon(uf_info.get_uf('molecule.type').gui_icon), 
177                  'method': self.action_molecule_type 
178              }, { 
179                  'id': wx.NewId(), 
180                  'text': "Set the thiol &state", 
181                  'icon': fetch_icon(uf_info.get_uf('bmrb.thiol_state').gui_icon), 
182                  'method': self.action_bmrb_thiol_state 
183              } 
184          ] 
185   
186   
187 -    def update_data(self): 
188          """Method called from self.build_element_safe() to update the list data.""" 
189   
190          # Expand the number of rows to match the number of molecules, and add the data. 
191          i = 0 
192          for mol, mol_id in molecule_loop(return_id=True): 
193              # Set the index. 
194              self.element.InsertStringItem(i, str_to_gui(mol_id)) 
195   
196              # Set the molecule name. 
197              if mol.name != None: 
198                  self.element.SetStringItem(i, 1, str_to_gui(mol.name)) 
199   
200              # Set the molecule type. 
201              if hasattr(mol, 'type'): 
202                  self.element.SetStringItem(i, 2, str_to_gui(mol.type)) 
203   
204              # Set the thiol state. 
205              if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
206                  self.element.SetStringItem(i, 3, str_to_gui(cdp.exp_info.thiol_state)) 
207   
208              # Increment the counter. 
209              i += 1 
210