Source Code for Module gui.components.molecule

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2009-2011 Michael Bieri                                       # 
  4  # Copyright (C) 2010-2013 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 graphics import fetch_icon 
 32  from gui.components.base_list import Base_list 
 33  from gui.string_conv import gui_to_str, str_to_gui 
 34  from gui.uf_objects import Uf_storage; uf_store = Uf_storage() 
 35  from pipe_control.mol_res_spin import molecule_loop, return_molecule 
 36  from status import Status; status = Status() 
 37  from user_functions.data import Uf_info; uf_info = Uf_info() 
 38   
 39   
 40 -class Molecule(Base_list): 
 41      """The GUI element for listing loaded molecules.""" 
 42   
 43 -    def action_bmrb_thiol_state(self, event): 
 44          """Launch the bmrb.thiol_state user function. 
 45   
 46          @param event:   The wx event. 
 47          @type event:    wx event 
 48          """ 
 49   
 50          # The current selection. 
 51          item = self.element.GetFirstSelected() 
 52   
 53          # The current state. 
 54          state = None 
 55          if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
 56              state = cdp.exp_info.thiol_state 
 57   
 58          # Launch the dialog. 
 59          if state == None: 
 60              uf_store['bmrb.thiol_state'](wx_parent=self.parent) 
 61          else: 
 62              uf_store['bmrb.thiol_state'](wx_parent=self.parent, state=state) 
 63   
 64   
 65 -    def action_molecule_name(self, event): 
 66          """Launch the molecule.name user function. 
 67   
 68          @param event:   The wx event. 
 69          @type event:    wx event 
 70          """ 
 71   
 72          # The current selection. 
 73          item = self.element.GetFirstSelected() 
 74   
 75          # The spectrum ID. 
 76          id = gui_to_str(self.element.GetItemText(item)) 
 77   
 78          # Launch the dialog. 
 79          uf_store['molecule.name'](wx_parent=self.parent, mol_id=id) 
 80   
 81   
 82 -    def action_molecule_type(self, event): 
 83          """Launch the molecule.type user function. 
 84   
 85          @param event:   The wx event. 
 86          @type event:    wx event 
 87          """ 
 88   
 89          # The current selection. 
 90          item = self.element.GetFirstSelected() 
 91   
 92          # The spectrum ID. 
 93          id = gui_to_str(self.element.GetItemText(item)) 
 94   
 95          # The current type. 
 96          type = None 
 97          mol = return_molecule(id) 
 98          if hasattr(mol, 'type') and mol.type != None: 
 99              type = mol.type 
100   
101          # Launch the dialog. 
102          if type == None: 
103              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id) 
104          else: 
105              uf_store['molecule.type'](wx_parent=self.parent, mol_id=id, type=type) 
106   
107   
108 -    def is_complete(self): 
109          """Determine if the data input is complete. 
110   
111          @return:    The answer to the question. 
112          @rtype:     bool 
113          """ 
114   
115          # Loop over the molecules. 
116          for mol in molecule_loop(): 
117              # No name. 
118              if mol.name == None: 
119                  return False 
120   
121              # No molecule type. 
122              if not hasattr(mol, 'type') or mol.type == None: 
123                  return False 
124   
125              # No thiol state. 
126              if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'thiol_state'): 
127                  return False 
128   
129          # Data input is complete. 
130          return True 
131   
132   
133 -    def set_box_label(self): 
134          """Set the label of the StaticBox.""" 
135   
136          # Determine if the data input is complete. 
137          label = self.title 
138          if self.is_complete(): 
139              label += " (complete)" 
140          else: 
141              label += " (incomplete)" 
142   
143          # Set the label. 
144          self.data_box.SetLabel(label) 
145   
146   
147 -    def setup(self): 
148          """Override the base variables.""" 
149   
150          # GUI variables. 
151          self.title = "Molecule information" 
152          self.observer_base_name = "molecule" 
153          self.button_placement = None 
154   
155          # The column titles. 
156          self.columns = [ 
157              "ID string", 
158              "Name", 
159              "Type", 
160              "Thiol state" 
161          ] 
162   
163          # The right click popup menu. 
164          self.popup_menus = [ 
165              { 
166                  'id': wx.NewId(), 
167                  'text': "&Name the molecule", 
168                  'icon': fetch_icon(uf_info.get_uf('molecule.name').gui_icon), 
169                  'method': self.action_molecule_name 
170              }, { 
171                  'id': wx.NewId(), 
172                  'text': "Set the molecule &type", 
173                  'icon': fetch_icon(uf_info.get_uf('molecule.type').gui_icon), 
174                  'method': self.action_molecule_type 
175              }, { 
176                  'id': wx.NewId(), 
177                  'text': "Set the thiol &state", 
178                  'icon': fetch_icon(uf_info.get_uf('bmrb.thiol_state').gui_icon), 
179                  'method': self.action_bmrb_thiol_state 
180              } 
181          ] 
182   
183   
184 -    def update_data(self): 
185          """Method called from self.build_element_safe() to update the list data.""" 
186   
187          # Expand the number of rows to match the number of molecules, and add the data. 
188          i = 0 
189          for mol, mol_id in molecule_loop(return_id=True): 
190              # Set the index. 
191              self.element.InsertStringItem(i, str_to_gui(mol_id)) 
192   
193              # Set the molecule name. 
194              if mol.name != None: 
195                  self.element.SetStringItem(i, 1, str_to_gui(mol.name)) 
196   
197              # Set the molecule type. 
198              if hasattr(mol, 'type'): 
199                  self.element.SetStringItem(i, 2, str_to_gui(mol.type)) 
200   
201              # Set the thiol state. 
202              if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'): 
203                  self.element.SetStringItem(i, 3, str_to_gui(cdp.exp_info.thiol_state)) 
204   
205              # Increment the counter. 
206              i += 1 
207