Source Code for Module specific_analyses.consistency_tests.parameter_object

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2004-2014 Edward d'Auvergne                                   # 
 4  # Copyright (C) 2007-2009 Sebastien Morin                                     # 
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 6  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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21  ############################################################################### 
22   
23  # Module docstring. 
24  """The module for the consistency testing parameter list object.""" 
25   
26  # relax module imports. 
27  from lib.physical_constants import N15_CSA 
28  from specific_analyses.parameter_object import Param_list 
29   
30   
31 -class Consistency_tests_params(Param_list): 
32      """The consistency testing parameter list singleton.""" 
33   
34      # Class variable for storing the class instance (for the singleton design pattern). 
35      _instance = None 
36   
37 -    def __init__(self): 
38          """Define all the parameters of the analysis.""" 
39   
40          # The object is already initialised. 
41          if self._initialised: return 
42   
43          # Execute the base class __init__ method. 
44          Param_list.__init__(self) 
45   
46          # Add the base information for the analysis. 
47          self._add_csa(default=N15_CSA) 
48          self._add('orientation', scope='spin', default=15.7, units='degrees', desc="Angle between the 15N-1H vector and the principal axis of the 15N chemical shift tensor", py_type=float, set='fixed', grace_string='\\q\\xq\\Q') 
49          self._add('tc', scope='spin', default=13 * 1e-9, units='ns', desc="The single global correlation time estimate/approximation", py_type=float, set='fixed', grace_string='\\q\\xt\\f{}c\\Q') 
50   
51          # Add the model parameters. 
52          self._add('j0', scope='spin', desc='Spectral density value at 0 MHz (from Farrow et al. (1995) JBNMR, 6: 153-162)', py_type=float, set='params', grace_string='\\qJ(0)\\Q', err=True, sim=True) 
53          self._add('f_eta', scope='spin', desc='Eta-test (from Fushman et al. (1998) JACS, 120: 10947-10952)', py_type=float, set='params', grace_string='\\qF\\s\\xh\\Q', err=True, sim=True) 
54          self._add('f_r2', scope='spin', desc='R2-test (from Fushman et al. (1998) JACS, 120: 10947-10952)', py_type=float, set='params', grace_string='\\qF\\sR2\\Q', err=True, sim=True) 
55   
56          # Set up the user function documentation. 
57          self._set_uf_title("Consistency testing parameters") 
58          self._uf_param_table(label="table: consistency testing parameters", caption="Consistency testing parameters.") 
59          self._uf_param_table(label="table: consistency testing parameter value setting", caption="Consistency testing parameters.") 
60          self._uf_param_table(label="table: consistency testing parameter value setting with defaults", caption="Consistency testing parameter value setting.", default=True) 
61   
62          # Value setting documentation. 
63          for doc in self._uf_doc_loop(["table: consistency testing parameter value setting", "table: consistency testing parameter value setting with defaults"]): 
64              doc.add_paragraph("In consistency testing, the CSA value, angle Theta ('orientation') and global correlation time must be set prior to the calculation of consistency functions.") 
65