Source Code for Module specific_analyses.jw_mapping.parameter_object

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2004-2014 Edward d'Auvergne                                   # 
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 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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20  ############################################################################### 
21   
22  # Module docstring. 
23  """The module for the reduced spectral density mapping parameter list object.""" 
24   
25  # relax module imports. 
26  from lib.physical_constants import N15_CSA 
27  from specific_analyses.parameter_object import Param_list 
28   
29   
30 -class Jw_mapping_params(Param_list): 
31      """The reduced spectral density mapping parameter list singleton.""" 
32   
33      # Class variable for storing the class instance (for the singleton design pattern). 
34      _instance = None 
35   
36 -    def __init__(self): 
37          """Define all the parameters of the analysis.""" 
38   
39          # The object is already initialised. 
40          if self._initialised: return 
41   
42          # Execute the base class __init__ method. 
43          Param_list.__init__(self) 
44   
45          # Add the base information for the analysis. 
46          self._add_csa(default=N15_CSA) 
47   
48          # Add the model parameters. 
49          self._add( 
50              'j0', 
51              scope = 'spin', 
52              string = 'J(0)', 
53              desc = 'Spectral density value at 0 MHz - J(0)', 
54              py_type = float, 
55              set = 'params', 
56              grace_string = '\\qJ(0)\\Q', 
57              err = True, 
58              sim = True 
59          ) 
60          self._add( 
61              'jwx', 
62              scope = 'spin', 
63              string = 'J(wX)', 
64              desc = 'Spectral density value at the frequency of the heteronucleus - J(wX)', 
65              py_type = float, 
66              set = 'params', 
67              grace_string = '\\qJ(\\xw\\f{}\\sX\\N)\\Q', 
68              err = True, 
69              sim = True 
70          ) 
71          self._add( 
72              'jwh', 
73              scope = 'spin', 
74              string = 'J(wH)', 
75              desc = 'Spectral density value at the frequency of the proton - J(wH)', 
76              py_type = float, 
77              set = 'params', 
78              grace_string = '\\qJ(\\xw\\f{}\\sH\\N)\\Q', 
79              err = True, 
80              sim = True 
81          ) 
82   
83          # Set up the user function documentation. 
84          self._set_uf_title("Reduced spectral density mapping parameters") 
85          self._uf_param_table(label="table: J(w) parameters", caption="Reduced spectral density mapping parameters.") 
86          self._uf_param_table(label="table: J(w) parameter value setting", caption="Reduced spectral density mapping parameters.") 
87          self._uf_param_table(label="table: J(w) parameter value setting with defaults", caption="Reduced spectral density mapping parameter value setting.", default=True) 
88   
89          # Value setting documentation. 
90          for doc in self._uf_doc_loop(["table: J(w) parameter value setting", "table: J(w) parameter value setting with defaults"]): 
91              doc.add_paragraph("In reduced spectral density mapping, the CSA value must be set prior to the calculation of spectral density values.") 
92