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 (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              # 
 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 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 molecules.""" 
 25   
 26  # Python module imports. 
 27  import wx 
 28  import wx.lib.buttons 
 29   
 30  # relax module imports. 
 31  from generic_fns.mol_res_spin import molecule_loop, return_molecule 
 32  from graphics import fetch_icon 
 33  from status import Status; status = Status() 
 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.string_conv import gui_to_str, str_to_gui 
 39  from gui.uf_objects import Uf_storage; uf_store = Uf_storage() 
 40   
 41   
 42 -class Molecule(Base_list): 
 43      """The GUI element for listing loaded molecules.""" 
 44   
 45 -    def action_bmrb_thiol_state(self, event): 
 46          """Launch the bmrb.thiol_state user function. 
 47   
 48          @param event:   The wx event. 
 49          @type event:    wx event 
 50          """ 
 51   
 52          # The current selection. 
 53          item = self.element.GetFirstSelected() 
 54   
 55          # The current state. 
 56          state = None 
 57          if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
 58              state = cdp.exp_info.thiol_state 
 59   
 60          # Launch the dialog. 
 61          if state == None: 
 62              uf_store['bmrb.thiol_state'](wx_parent=self.parent) 
 63          else: 
 64              uf_store['bmrb.thiol_state'](wx_parent=self.parent, state=state) 
 65   
 66   
 67 -    def action_molecule_name(self, event): 
 68          """Launch the molecule.name user function. 
 69   
 70          @param event:   The wx event. 
 71          @type event:    wx event 
 72          """ 
 73   
 74          # The current selection. 
 75          item = self.element.GetFirstSelected() 
 76   
 77          # The spectrum ID. 
 78          id = gui_to_str(self.element.GetItemText(item)) 
 79   
 80          # Launch the dialog. 
 81          uf_store['molecule.name'](wx_parent=self.parent, mol_id=id) 
 82   
 83   
 84 -    def action_molecule_type(self, event): 
 85          """Launch the molecule.type user function. 
 86   
 87          @param event:   The wx event. 
 88          @type event:    wx event 
 89          """ 
 90   
 91          # The current selection. 
 92          item = self.element.GetFirstSelected() 
 93   
 94          # The spectrum ID. 
 95          id = gui_to_str(self.element.GetItemText(item)) 
 96   
 97          # The current type. 
 98          type = None 
 99          mol = return_molecule(id) 
100          if hasattr(mol, 'type') and mol.type != None: 
101              type = mol.type 
102   
103          # Launch the dialog. 
104          if type == None: 
105              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id) 
106          else: 
107              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id, type=type) 
108   
109   
110 -    def is_complete(self): 
111          """Determine if the data input is complete. 
112   
113          @return:    The answer to the question. 
114          @rtype:     bool 
115          """ 
116   
117          # Loop over the molecules. 
118          for mol in molecule_loop(): 
119              # No name. 
120              if mol.name == None: 
121                  return False 
122   
123              # No molecule type. 
124              if not hasattr(mol, 'type') or mol.type == None: 
125                  return False 
126   
127              # No thiol state. 
128              if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'thiol_state'): 
129                  return False 
130   
131          # Data input is complete. 
132          return True 
133   
134   
135 -    def set_box_label(self): 
136          """Set the label of the StaticBox.""" 
137   
138          # Determine if the data input is complete. 
139          label = self.title 
140          if self.is_complete(): 
141              label += " (complete)" 
142          else: 
143              label += " (incomplete)" 
144   
145          # Set the label. 
146          self.data_box.SetLabel(label) 
147   
148   
149 -    def setup(self): 
150          """Override the base variables.""" 
151   
152          # GUI variables. 
153          self.title = "Molecule information" 
154          self.observer_base_name = "molecule" 
155          self.button_placement = None 
156   
157          # The column titles. 
158          self.columns = [ 
159              "ID string", 
160              "Name", 
161              "Type", 
162              "Thiol state" 
163          ] 
164   
165          # The right click popup menu. 
166          self.popup_menus = [ 
167              { 
168                  'id': wx.NewId(), 
169                  'text': "&Name the molecule", 
170                  'icon': fetch_icon(uf_info.get_uf('molecule.name').gui_icon), 
171                  'method': self.action_molecule_name 
172              }, { 
173                  'id': wx.NewId(), 
174                  'text': "Set the molecule &type", 
175                  'icon': fetch_icon(uf_info.get_uf('molecule.type').gui_icon), 
176                  'method': self.action_molecule_type 
177              }, { 
178                  'id': wx.NewId(), 
179                  'text': "Set the thiol &state", 
180                  'icon': fetch_icon(uf_info.get_uf('bmrb.thiol_state').gui_icon), 
181                  'method': self.action_bmrb_thiol_state 
182              } 
183          ] 
184   
185   
186 -    def update_data(self): 
187          """Method called from self.build_element_safe() to update the list data.""" 
188   
189          # Expand the number of rows to match the number of molecules, and add the data. 
190          i = 0 
191          for mol, mol_id in molecule_loop(return_id=True): 
192              # Set the index. 
193              self.element.InsertStringItem(i, str_to_gui(mol_id)) 
194   
195              # Set the molecule name. 
196              if mol.name != None: 
197                  self.element.SetStringItem(i, 1, str_to_gui(mol.name)) 
198   
199              # Set the molecule type. 
200              if hasattr(mol, 'type'): 
201                  self.element.SetStringItem(i, 2, str_to_gui(mol.type)) 
202   
203              # Set the thiol state. 
204              if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
205                  self.element.SetStringItem(i, 3, str_to_gui(cdp.exp_info.thiol_state)) 
206   
207              # Increment the counter. 
208              i += 1 
209