Source Code for Package specific_fns.noe

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2007-2012 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
 6  #                                                                             # 
 7  # relax 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 2 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # relax 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 relax; if not, write to the Free Software                        # 
19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  # Module docstring. 
24  """The NOE specific code.""" 
25   
26   
27  # The available modules. 
28  __all__ = [ 'main', 
29              'pymol'] 
30   
31  # relax module imports. 
32  from main import Noe_main 
33  from specific_fns.api_base import API_base 
34  from specific_fns.api_common import API_common 
35   
36   
37 -class Noe(Noe_main, API_base, API_common): 
38      """Parent class containing all the NOE specific functions.""" 
39   
40 -    def __init__(self): 
41          """Initialise the class by placing API_common methods into the API.""" 
42   
43          # Execute the base class __init__ method. 
44          super(Noe, self).__init__() 
45   
46          # Place methods into the API. 
47          self.return_conversion_factor = self._return_no_conversion_factor 
48          self.return_value = self._return_value_general 
49   
50          # Set up the spin parameters. 
51          self.PARAMS.add('ref', scope='spin', desc='The reference peak intensity', py_type=float, grace_string='Reference intensity') 
52          self.PARAMS.add('sat', scope='spin', desc='The saturated peak intensity', py_type=float, grace_string='Saturated intensity') 
53          self.PARAMS.add('noe', scope='spin', desc='The NOE', py_type=float, grace_string='\\qNOE\\Q', err=True, sim=True) 
54