Source Code for Package specific_fns.noe

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2007-2013 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  """Analysis specific code for the steady-state heteronuclear NOE calculation.""" 
24   
25   
26  # The available modules. 
27  __all__ = [ 'main', 
28              'pymol'] 
29   
30  # relax module imports. 
31  from specific_fns.api_base import API_base 
32  from specific_fns.api_common import API_common 
33  from specific_fns.noe.main import Noe_main 
34   
35   
36 -class Noe(Noe_main, API_base, API_common): 
37      """Parent class containing all the NOE specific functions.""" 
38   
39 -    def __init__(self): 
40          """Initialise the class by placing API_common methods into the API.""" 
41   
42          # Execute the base class __init__ method. 
43          super(Noe, self).__init__() 
44   
45          # Place methods into the API. 
46          self.return_conversion_factor = self._return_no_conversion_factor 
47          self.return_value = self._return_value_general 
48   
49          # Set up the spin parameters. 
50          self.PARAMS.add('ref', scope='spin', desc='The reference peak intensity', py_type=float, grace_string='Reference intensity') 
51          self.PARAMS.add('sat', scope='spin', desc='The saturated peak intensity', py_type=float, grace_string='Saturated intensity') 
52          self.PARAMS.add('noe', scope='spin', desc='The NOE', py_type=float, grace_string='\\qNOE\\Q', err=True, sim=True) 
53