Source Code for Module specific_analyses.jw_mapping.parameter_object

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2002-2005,2007-2014 Edward d'Auvergne                         # 
 4  # Copyright (C) 2006 Chris MacRaild                                           # 
 5  # Copyright (C) 2007-2008 Sebastien Morin                                     # 
 6  #                                                                             # 
 7  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 8  #                                                                             # 
 9  # This program is free software: you can redistribute it and/or modify        # 
10  # it under the terms of the GNU General Public License as published by        # 
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12  # (at your option) any later version.                                         # 
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14  # This program is distributed in the hope that it will be useful,             # 
15  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
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17  # GNU General Public License for more details.                                # 
18  #                                                                             # 
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20  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
21  #                                                                             # 
22  ############################################################################### 
23   
24  # Module docstring. 
25  """The module for the reduced spectral density mapping parameter list object.""" 
26   
27  # relax module imports. 
28  from lib.physical_constants import N15_CSA 
29  from specific_analyses.parameter_object import Param_list 
30   
31   
32 -class Jw_mapping_params(Param_list): 
33      """The reduced spectral density mapping parameter list singleton.""" 
34   
35      # Class variable for storing the class instance (for the singleton design pattern). 
36      _instance = None 
37   
38 -    def __init__(self): 
39          """Define all the parameters of the analysis.""" 
40   
41          # The object is already initialised. 
42          if self._initialised: return 
43   
44          # Execute the base class __init__ method. 
45          Param_list.__init__(self) 
46   
47          # Add the base information for the analysis. 
48          self._add_csa(default=N15_CSA) 
49   
50          # Add the model parameters. 
51          self._add( 
52              'j0', 
53              scope = 'spin', 
54              string = 'J(0)', 
55              desc = 'Spectral density value at 0 MHz - J(0)', 
56              py_type = float, 
57              set = 'params', 
58              grace_string = '\\qJ(0)\\Q', 
59              err = True, 
60              sim = True 
61          ) 
62          self._add( 
63              'jwx', 
64              scope = 'spin', 
65              string = 'J(wX)', 
66              desc = 'Spectral density value at the frequency of the heteronucleus - J(wX)', 
67              py_type = float, 
68              set = 'params', 
69              grace_string = '\\qJ(\\xw\\f{}\\sX\\N)\\Q', 
70              err = True, 
71              sim = True 
72          ) 
73          self._add( 
74              'jwh', 
75              scope = 'spin', 
76              string = 'J(wH)', 
77              desc = 'Spectral density value at the frequency of the proton - J(wH)', 
78              py_type = float, 
79              set = 'params', 
80              grace_string = '\\qJ(\\xw\\f{}\\sH\\N)\\Q', 
81              err = True, 
82              sim = True 
83          ) 
84   
85          # Set up the user function documentation. 
86          self._set_uf_title("Reduced spectral density mapping parameters") 
87          self._uf_param_table(label="table: J(w) parameters", caption="Reduced spectral density mapping parameters.") 
88          self._uf_param_table(label="table: J(w) parameter value setting", caption="Reduced spectral density mapping parameters.") 
89          self._uf_param_table(label="table: J(w) parameter value setting with defaults", caption="Reduced spectral density mapping parameter value setting.", default=True) 
90   
91          # Value setting documentation. 
92          for doc in self._uf_doc_loop(["table: J(w) parameter value setting", "table: J(w) parameter value setting with defaults"]): 
93              doc.add_paragraph("In reduced spectral density mapping, the CSA value must be set prior to the calculation of spectral density values.") 
94