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23 """The v3.1 Heteronuclear NOE data saveframe category.
24
25 This file is part of the U{BMRB library<https://sourceforge.net/projects/bmrblib>}.
26
27 See http://www.bmrb.wisc.edu/dictionary/3.1html/SaveFramePage.html#heteronucl_NOEs.
28 """
29
30
31 from bmrblib.thermodynamics.model_free import ModelFreeSaveframe, ModelFreeList, ModelFreeExperiment, ModelFreeSoftware, ModelFree
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33
35 """The v3.1 Model_free data saveframe class."""
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37
38 sf_label = 'order_parameters'
39
48
49
50
52 """v3.1 ModelFreeList tag category."""
53
55 """Setup the ModelFreeList_v3_1 tag category.
56
57 @param sf: The saveframe object.
58 @type sf: saveframe instance
59 """
60
61
62 super(ModelFreeList_v3_1, self).__init__(sf)
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64
65 self.tag_category_label = 'Order_parameter_list'
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67
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
79 """v3.1 ModelFreeExperiment tag category."""
80
93
94
95
97 """v3.1 ModelFreeSoftware tag category."""
98
100 """Setup the ModelFreeSoftware_v3_1 tag category.
101
102 @param sf: The saveframe object.
103 @type sf: saveframe instance
104 """
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106
107 super(ModelFreeSoftware_v3_1, self).__init__(sf)
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110 self.tag_category_label = 'Order_parameter_software'
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112
113
115 """v3.1 ModelFree tag category."""
116
118 """Setup the ModelFree_v3_1 tag category.
119
120 @param sf: The saveframe object.
121 @type sf: saveframe instance
122 """
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124
125 super(ModelFree_v3_1, self).__init__(sf)
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127
128 self.tag_category_label = 'Order_param'
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130
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'
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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'
160