Source Code for Module pipe_control.structure.checks

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2009,2011-2014 Edward d'Auvergne                         # 
 4  # Copyright (C) 2008 Sebastien Morin                                          # 
 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  # relax module imports. 
24  from lib.checks import Check 
25  from lib.errors import RelaxError 
26  from pipe_control.pipes import cdp_name, get_pipe 
27   
28   
29 -def check_structure_func(pipe_name=None): 
30      """Test if structural data is present. 
31   
32      @return:        The initialised RelaxError object or nothing. 
33      @rtype:         None or RelaxError instance 
34      """ 
35   
36      # Defaults. 
37      if pipe_name == None: 
38          pipe_name = cdp_name() 
39   
40      # Get the data pipe. 
41      dp = get_pipe(pipe_name) 
42   
43      # Test if the structure exists. 
44      if not hasattr(dp, 'structure'): 
45          return RelaxError("No structural data is present in the current data pipe.") 
46   
47      # Check for models: 
48      if not dp.structure.num_models(): 
49          return RelaxError("The structural object in the current data pipe contains no models.") 
50   
51      # Check for molecules. 
52      if not dp.structure.num_molecules(): 
53          return RelaxError("The structural object in the current data pipe contains no molecules.") 
54   
55  # Create the checking object. 
56  check_structure = Check(check_structure_func) 
57