Source Code for Module pipe_control.domain

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2011 Edward d'Auvergne                                        # 
 4  #                                                                             # 
 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 6  #                                                                             # 
 7  # This program is free software: you can redistribute it and/or modify        # 
 8  # it under the terms of the GNU General Public License as published by        # 
 9  # the Free Software Foundation, either version 3 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # This program is distributed in the hope that it will be useful,             # 
13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
15  # GNU General Public License for more details.                                # 
16  #                                                                             # 
17  # You should have received a copy of the GNU General Public License           # 
18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
19  #                                                                             # 
20  ############################################################################### 
21   
22  # Module docstring. 
23  """Module containing the structural domain related functions.""" 
24   
25   
26 -def define(id=None, spin_id=None): 
27      """Define the domain. 
28   
29      @keyword id:        The domain ID string. 
30      @type id:           str 
31      @keyword spin_id:   The spin ID string for all atoms of the domain. 
32      @type spin_id:      str 
33      """ 
34   
35      # Initialise the data structure if needed. 
36      if not hasattr(cdp, 'domain'): 
37          cdp.domain = {} 
38   
39      # Store the domain info. 
40      cdp.domain[id] = spin_id 
41   
42   
43 -def get_domain_ids(): 
44      """Return the list of all domain ID strings. 
45   
46      @return:        The list of all domain IDs. 
47      @rtype:         list of str 
48      """ 
49   
50      # No pipe. 
51      if cdp == None: 
52          return [] 
53   
54      # No domain data. 
55      if not hasattr(cdp, 'domain'): 
56          return [] 
57   
58      # The domain IDs, sorted. 
59      ids = sorted(cdp.domain.keys()) 
60      return ids 
61