Package bmrblib :: Package thermodynamics :: Module model_free_v3_1
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Source Code for Module bmrblib.thermodynamics.model_free_v3_1

  1  ############################################################################# 
  2  #                                                                           # 
  3  # The BMRB library.                                                         # 
  4  #                                                                           # 
  5  # Copyright (C) 2009-2013 Edward d'Auvergne                                 # 
  6  #                                                                           # 
  7  # This program is free software: you can redistribute it and/or modify      # 
  8  # it under the terms of the GNU General Public License as published by      # 
  9  # the Free Software Foundation, either version 3 of the License, or         # 
 10  # (at your option) any later version.                                       # 
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 12  # This program is distributed in the hope that it will be useful,           # 
 13  # but WITHOUT ANY WARRANTY; without even the implied warranty of            # 
 14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the             # 
 15  # GNU General Public License for more details.                              # 
 16  #                                                                           # 
 17  # You should have received a copy of the GNU General Public License         # 
 18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.     # 
 19  #                                                                           # 
 20  ############################################################################# 
 21   
 22  # Module docstring. 
 23  """The v3.1 Heteronuclear NOE data saveframe category. 
 24   
 25  This file is part of the U{BMRB library<https://gna.org/projects/bmrblib>}. 
 26   
 27  See http://www.bmrb.wisc.edu/dictionary/3.1html/SaveFramePage.html#heteronucl_NOEs. 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.thermodynamics.model_free import ModelFreeSaveframe, ModelFreeList, ModelFreeExperiment, ModelFreeSoftware, ModelFree 
 32   
 33   
34 -class ModelFreeSaveframe_v3_1(ModelFreeSaveframe):
35 """The v3.1 Model_free data saveframe class.""" 36 37 # Class variables. 38 sf_label = 'order_parameters' 39
40 - def add_tag_categories(self):
41 """Create the v3.1 tag categories.""" 42 43 # The tag category objects. 44 self.tag_categories.append(ModelFreeList_v3_1(self)) 45 self.tag_categories.append(ModelFreeExperiment_v3_1(self)) 46 self.tag_categories.append(ModelFreeSoftware_v3_1(self)) 47 self.tag_categories.append(ModelFree_v3_1(self))
48 49 50
51 -class ModelFreeList_v3_1(ModelFreeList):
52 """v3.1 ModelFreeList tag category.""" 53
54 - def __init__(self, sf):
55 """Setup the ModelFreeList_v3_1 tag category. 56 57 @param sf: The saveframe object. 58 @type sf: saveframe instance 59 """ 60 61 # Initialise the baseclass. 62 super(ModelFreeList_v3_1, self).__init__(sf) 63 64 # The category name. 65 self.tag_category_label = 'Order_parameter_list' 66 67 # Change tag names. 68 self['SfCategory'].tag_name = 'Sf_category' 69 self['SfFramecode'].tag_name = 'Sf_framecode' 70 self['ModelFreeListID'].tag_name = 'ID' 71 self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label' 72 self['TaueValUnits'].tag_name = 'Tau_e_val_units' 73 self['TaufValUnits'].tag_name = 'Tau_f_val_units' 74 self['TausValUnits'].tag_name = 'Tau_s_val_units'
75 76 77
78 -class ModelFreeExperiment_v3_1(ModelFreeExperiment):
79 """v3.1 ModelFreeExperiment tag category.""" 80
81 - def __init__(self, sf):
82 """Setup the ModelFreeExperiment_v3_1 tag category. 83 84 @param sf: The saveframe object. 85 @type sf: saveframe instance 86 """ 87 88 # Initialise the baseclass. 89 super(ModelFreeExperiment_v3_1, self).__init__(sf) 90 91 # The category name. 92 self.tag_category_label = 'Order_parameter_experiment'
93 94 95
96 -class ModelFreeSoftware_v3_1(ModelFreeSoftware):
97 """v3.1 ModelFreeSoftware tag category.""" 98
99 - def __init__(self, sf):
100 """Setup the ModelFreeSoftware_v3_1 tag category. 101 102 @param sf: The saveframe object. 103 @type sf: saveframe instance 104 """ 105 106 # Initialise the baseclass. 107 super(ModelFreeSoftware_v3_1, self).__init__(sf) 108 109 # The category name. 110 self.tag_category_label = 'Order_parameter_software'
111 112 113
114 -class ModelFree_v3_1(ModelFree):
115 """v3.1 ModelFree tag category.""" 116
117 - def __init__(self, sf):
118 """Setup the ModelFree_v3_1 tag category. 119 120 @param sf: The saveframe object. 121 @type sf: saveframe instance 122 """ 123 124 # Initialise the baseclass. 125 super(ModelFree_v3_1, self).__init__(sf) 126 127 # The category name. 128 self.tag_category_label = 'Order_param' 129 130 # Change the tag names. 131 self['ModelFreeID'].tag_name = 'ID' 132 self['CompIndexID'].tag_name = 'Comp_index_ID' 133 self['CompID'].tag_name = 'Comp_ID' 134 self['AtomID'].tag_name = 'Atom_ID' 135 self['AtomType'].tag_name = 'Atom_type' 136 self['AtomIsotopeNumber'].tag_name = 'Atom_isotope_number' 137 self['S2Val'].tag_name = 'Order_param_val' 138 self['S2ValErr'].tag_name = 'Order_param_val_fit_err' 139 self['S2fVal'].tag_name = 'Sf2_val' 140 self['S2fValErr'].tag_name = 'Sf2_val_fit_err' 141 self['S2sVal'].tag_name = 'Ss2_val' 142 self['S2sValErr'].tag_name = 'Ss2_val_fit_err' 143 self['TauEVal'].tag_name = 'Tau_e_val' 144 self['TauEValErr'].tag_name = 'Tau_e_val_fit_err' 145 self['TauFVal'].tag_name = 'Tau_f_val' 146 self['TauFValErr'].tag_name = 'Tau_f_val_fit_err' 147 self['TauSVal'].tag_name = 'Tau_s_val' 148 self['TauSValErr'].tag_name = 'Tau_s_val_fit_err' 149 self['RexVal'].tag_name = 'Rex_val' 150 self['RexValErr'].tag_name = 'Rex_val_fit_err' 151 self['ChiSquaredVal'].tag_name = 'Chi_squared_val' 152 153 # Set up the local_tm and bond length structures. 154 self['LocalTauCVal'].tag_name = 'Local_tau_c_val' 155 self['LocalTauCVal'].var_name = 'local_tm' 156 self['LocalTauCValErr'].tag_name = 'Local_tau_c_val_fit_err' 157 self['LocalTauCValErr'].var_name = 'local_tm_err' 158 self['BondLengthVal'].tag_name = 'Bond_length_val' 159 self['BondLengthVal'].var_name = 'bond_length'
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