Source Code for Module prompt.relax_fit

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2004-2011 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
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 7  # relax is free software; you can redistribute it and/or modify               # 
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21  ############################################################################### 
22   
23  # Module docstring. 
24  """Module containing the 'relax_fit' user function class.""" 
25  __docformat__ = 'plaintext' 
26   
27  # relax module imports. 
28  from base_class import User_fn_class, _build_doc 
29  import arg_check 
30  from specific_fns.setup import relax_fit_obj 
31   
32   
33 -class Relax_fit(User_fn_class): 
34      """Class for relaxation curve fitting.""" 
35   
36 -    def relax_time(self, time=0.0, spectrum_id=None): 
37          # Function intro text. 
38          if self._exec_info.intro: 
39              text = self._exec_info.ps3 + "relax_fit.relax_time(" 
40              text = text + "time=" + repr(time) 
41              text = text + ", spectrum_id=" + repr(spectrum_id) + ")" 
42              print(text) 
43   
44          # The argument checks. 
45          arg_check.is_num(time, 'relaxation time') 
46          arg_check.is_str(spectrum_id, 'spectrum identification string') 
47   
48          # Execute the functional code. 
49          relax_fit_obj._relax_time(time=time, spectrum_id=spectrum_id) 
50   
51      # The function doc info. 
52      relax_time._doc_title = "Set the relaxation delay time associated with each spectrum." 
53      relax_time._doc_title_short = "Relaxation delay time setting." 
54      relax_time._doc_args = [ 
55          ["time", "The time, in seconds, of the relaxation period."], 
56          ["spectrum_id", "The spectrum identification string."] 
57      ] 
58      relax_time._doc_desc = """ 
59          Peak intensities should be loaded before calling this user function via the spectrum.read_intensities user function.  The intensity values will then be associated with a spectrum identifier.  To associate each spectrum identifier with a time point in the relaxation curve prior to optimisation, this user function should be called. 
60          """ 
61      _build_doc(relax_time) 
62   
63   
64 -    def select_model(self, model='exp'): 
65          # Function intro text. 
66          if self._exec_info.intro: 
67              text = self._exec_info.ps3 + "relax_fit.select_model(" 
68              text = text + "model=" + repr(model) + ")" 
69              print(text) 
70   
71          # The argument checks. 
72          arg_check.is_str(model, 'model') 
73   
74          # Execute the functional code. 
75          relax_fit_obj._select_model(model=model) 
76   
77      # The function doc info. 
78      select_model._doc_title = "Select the relaxation curve type." 
79      select_model._doc_title_short = "Relaxation curve type selection." 
80      select_model._doc_args = [ 
81          ["model", "The type of relaxation curve to fit."] 
82      ] 
83      select_model._doc_desc = """ 
84          The supported relaxation experiments include the default two parameter exponential fit, selected by setting the 'fit_type' argument to 'exp', and the three parameter inversion recovery experiment in which the peak intensity limit is a non-zero value, selected by setting the argument to 'inv'. 
85   
86          The parameters of these two models are 
87              'exp': [Rx, I0], 
88              'inv': [Rx, I0, Iinf]. 
89          """ 
90      _build_doc(select_model) 
91