Source Code for Module specific_analyses.frame_order.parameter_object

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2009-2014 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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 7  # This program is free software: you can redistribute it and/or modify        # 
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15  # GNU General Public License for more details.                                # 
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18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
19  #                                                                             # 
20  ############################################################################### 
21   
22  # Module docstring. 
23  """The module for the frame order parameter list object.""" 
24   
25  # relax module imports. 
26  from specific_analyses.parameter_object import Param_list 
27   
28   
29 -class Frame_order_params(Param_list): 
30      """The frame order 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 model variables. 
45          self._add_model_info() 
46   
47          # Add the base data. 
48          self._add_align_data() 
49   
50          # Add the parameters of all models. 
51          self._add('pivot_x', scope='global', units='Angstrom', desc='The pivot point position x coordinate', py_type=float, set='params', err=True, sim=True) 
52          self._add('pivot_y', scope='global', units='Angstrom', desc='The pivot point position y coordinate', py_type=float, set='params', err=True, sim=True) 
53          self._add('pivot_z', scope='global', units='Angstrom', desc='The pivot point position z coordinate', py_type=float, set='params', err=True, sim=True) 
54          self._add('ave_pos_x', scope='global', units='Angstrom', desc='The average position x translation', py_type=float, set='params', err=True, sim=True) 
55          self._add('ave_pos_y', scope='global', units='Angstrom', desc='The average position y translation', py_type=float, set='params', err=True, sim=True) 
56          self._add('ave_pos_z', scope='global', units='Angstrom', desc='The average position z translation', py_type=float, set='params', err=True, sim=True) 
57          self._add('ave_pos_alpha', scope='global', units='rad', desc='The average position alpha Euler angle', py_type=float, set='params', err=True, sim=True) 
58          self._add('ave_pos_beta', scope='global', units='rad', desc='The average position beta Euler angle', py_type=float, set='params', err=True, sim=True) 
59          self._add('ave_pos_gamma', scope='global', units='rad', desc='The average position gamma Euler angle', py_type=float, set='params', err=True, sim=True) 
60          self._add('eigen_alpha', scope='global', units='rad', desc='The Eigenframe alpha Euler angle', py_type=float, set='params', err=True, sim=True) 
61          self._add('eigen_beta', scope='global', units='rad', desc='The Eigenframe beta Euler angle', py_type=float, set='params', err=True, sim=True) 
62          self._add('eigen_gamma', scope='global', units='rad', desc='The Eigenframe gamma Euler angle', py_type=float, set='params', err=True, sim=True) 
63          self._add('axis_theta', scope='global', units='rad', desc='The cone axis polar angle (for the isotropic cone model)', py_type=float, set='params', err=True, sim=True) 
64          self._add('axis_phi', scope='global', units='rad', desc='The cone axis azimuthal angle (for the isotropic cone model)', py_type=float, set='params', err=True, sim=True) 
65          self._add('axis_alpha', scope='global', units='rad', desc='The rotor axis alpha angle (the rotation angle out of the xy plane)', py_type=float, set='params', err=True, sim=True) 
66          self._add('cone_theta_x', scope='global', units='rad', desc='The pseudo-ellipse cone opening half-angle for the x-axis', py_type=float, set='params', err=True, sim=True) 
67          self._add('cone_theta_y', scope='global', units='rad', desc='The pseudo-ellipse cone opening half-angle for the y-axis', py_type=float, set='params', err=True, sim=True) 
68          self._add('cone_theta', scope='global', units='rad', desc='The isotropic cone opening half-angle', py_type=float, set='params', err=True, sim=True) 
69          self._add('cone_s1', scope='global', units='', desc='The isotropic cone order parameter', py_type=float, set='params', err=True, sim=True) 
70          self._add('cone_sigma_max', scope='global', units='rad', desc='The torsion angle', py_type=float, set='params', err=True, sim=True) 
71   
72          # Add minimisation structures. 
73          self._add_min_data(min_stats_global=True) 
74   
75          # Set up the user function documentation. 
76          self._set_uf_title("Frame order parameters") 
77          self._uf_param_table(label="table: frame order parameters", caption="Frame order parameters.", scope='global') 
78          self._uf_param_table(label="table: frame order parameter value setting with defaults", caption="Frame order parameter value setting.", scope='global', default=True) 
79