Source Code for Module pipe_control.structure.checks

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2014 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  # relax module imports. 
23  from lib.checks import Check 
24  from lib.errors import RelaxError 
25  from pipe_control.pipes import cdp_name, get_pipe 
26   
27   
28 -def check_structure_func(pipe_name=None): 
29      """Test if structural data is present. 
30   
31      @return:        The initialised RelaxError object or nothing. 
32      @rtype:         None or RelaxError instance 
33      """ 
34   
35      # Defaults. 
36      if pipe_name == None: 
37          pipe_name = cdp_name() 
38   
39      # Get the data pipe. 
40      dp = get_pipe(pipe_name) 
41   
42      # Test if the structure exists. 
43      if not hasattr(dp, 'structure'): 
44          return RelaxError("No structural data is present in the current data pipe.") 
45   
46      # Check for models: 
47      if not dp.structure.num_models(): 
48          return RelaxError("The structural object in the current data pipe contains no models.") 
49   
50      # Check for molecules. 
51      if not dp.structure.num_molecules(): 
52          return RelaxError("The structural object in the current data pipe contains no molecules.") 
53   
54  # Create the checking object. 
55  check_structure = Check(check_structure_func) 
56