Source Code for Module specific_analyses.n_state_model.parameter_object

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 2  #                                                                             # 
 3  # Copyright (C) 2007-2014 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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21   
22  # Module docstring. 
23  """The module for the N-state model parameter list object.""" 
24   
25  # relax module imports. 
26  from specific_analyses.parameter_object import Param_list 
27   
28   
29 -class N_state_params(Param_list): 
30      """The N-state model parameter list singleton.""" 
31   
32      # Class variable for storing the class instance (for the singleton design pattern). 
33      _instance = None 
34   
35 -    def __init__(self): 
36          """Define all the parameters of the analysis.""" 
37   
38          # The object is already initialised. 
39          if self._initialised: return 
40   
41          # Execute the base class __init__() method. 
42          Param_list.__init__(self) 
43   
44          # Add the base data. 
45          self._add_align_data() 
46   
47          # Add up the model parameters. 
48          self._add('probs', scope='global', default=0.0, desc='The probabilities of each state', py_type=list, set='params', err=True, sim=True) 
49          self._add('alpha', scope='global', units='rad', default=0.0, desc='The alpha Euler angles (for the rotation of each state)', py_type=list, set='params', err=True, sim=True) 
50          self._add('beta', scope='global', units='rad', default=0.0, desc='The beta Euler angles (for the rotation of each state)', py_type=list, set='params', err=True, sim=True) 
51          self._add('gamma', scope='global', units='rad', default=0.0, desc='The gamma Euler angles (for the rotation of each state)', py_type=list, set='params', err=True, sim=True) 
52          self._add('paramagnetic_centre', scope='global', units='Angstrom', desc='The paramagnetic centre', py_type=list, set='params', err=True, sim=True) 
53   
54          # Add the minimisation data. 
55          self._add_min_data(min_stats_global=False, min_stats_spin=True) 
56   
57          # Set up the user function documentation. 
58          self._set_uf_title("N-state model parameters") 
59          self._uf_param_table(label="table: N-state parameters", caption="N-state model parameters.", scope='global', type=True) 
60          self._uf_param_table(label="table: N-state parameter value setting", caption="N-state model parameters.", scope='global', type=True) 
61          self._uf_param_table(label="table: N-state parameter value setting with defaults", caption="N-state model parameter value setting.", scope='global', default=True, type=True) 
62   
63          # Value setting documentation. 
64          for doc in self._uf_doc_loop(["table: N-state parameter value setting", "table: N-state parameter value setting with defaults"]): 
65              doc.add_paragraph("Setting parameters for the N-state model is a little different from the other type of analyses as each state has a set of parameters with the same names as the other states.  To set the parameters for a specific state c (ranging from 0 for the first to N-1 for the last, the number c should be given as the index argument.  So the Euler angle gamma of the third state is specified using the parameter name 'gamma' and index of 2.") 
66