1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
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.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE
32
33
35 """The v3.1 Heteronuclear NOE data saveframe class."""
36
37
38 sf_label = 'heteronucl_NOEs'
39
48
49
50
52 """v3.1 HeteronuclNOEList tag category."""
53
55 """Setup the HeteronuclNOEList_v3_1 tag category.
56
57 @param sf: The saveframe object.
58 @type sf: saveframe instance
59 """
60
61
62 super(HeteronuclNOEList_v3_1, self).__init__(sf)
63
64
65 self.tag_category_label = 'Heteronucl_NOE_list'
66
67
68 self['SfCategory'].tag_name = 'Sf_category'
69 self['SfFramecode'].tag_name = 'Sf_framecode'
70 self['HeteronuclNOEListID'].tag_name = 'ID'
71 self['DataFileName'].tag_name = 'Data_file_name'
72 self['SampleConditionListID'].tag_name = 'Sample_condition_list_ID'
73 self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label'
74 self['SpectrometerFrequency1H'].tag_name = 'Spectrometer_frequency_1H'
75 self['TempCalibrationMethod'].tag_name = 'Temp_calibration_method'
76 self['TempControlMethod'].tag_name = 'Temp_control_method'
77 self['HeteronuclearNOEValType'].tag_name = 'Heteronuclear_NOE_val_type'
78 self['NOERefVal'].tag_name = 'NOE_ref_val'
79 self['NOERefDescription'].tag_name = 'NOE_ref_description'
80 self['Details'].tag_name = 'Details'
81 self['TextDataFormat'].tag_name = 'Text_data_format'
82 self['TextData'].tag_name = 'Text_data'
83
84
85
87 """v3.1 HeteronuclNOEExperiment tag category."""
88
90 """Setup the HeteronuclNOEExperiment_v3_1 tag category.
91
92 @param sf: The saveframe object.
93 @type sf: saveframe instance
94 """
95
96
97 super(HeteronuclNOEExperiment_v3_1, self).__init__(sf)
98
99
100 self.tag_category_label = 'Heteronucl_NOE_experiment'
101
102
103 self['ExperimentID'].tag_name = 'Experiment_ID'
104 self['ExperimentName'].tag_name = 'Experiment_name'
105 self['SampleID'].tag_name = 'Sample_ID'
106 self['SampleLabel'].tag_name = 'Sample_label'
107 self['SampleState'].tag_name = 'Sample_state'
108 self['EntryID'].tag_name = 'Entry_ID'
109 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'
110
111
112
114 """v3.1 HeteronuclNOESoftware tag category."""
115
117 """Setup the HeteronuclNOESoftware_v3_1 tag category.
118
119 @param sf: The saveframe object.
120 @type sf: saveframe instance
121 """
122
123
124 super(HeteronuclNOESoftware_v3_1, self).__init__(sf)
125
126
127 self.tag_category_label = 'Heteronucl_NOE_software'
128
129
130 self['SoftwareID'].tag_name = 'Software_ID'
131 self['SoftwareLabel'].tag_name = 'Software_label'
132 self['MethodID'].tag_name = 'Method_ID'
133 self['MethodLabel'].tag_name = 'Method_label'
134 self['EntryID'].tag_name = 'Entry_ID'
135 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'
136
137
138
140 """v3.1 HeteronuclNOE tag category."""
141
143 """Setup the HeteronuclNOE_v3_1 tag category.
144
145 @param sf: The saveframe object.
146 @type sf: saveframe instance
147 """
148
149
150 super(HeteronuclNOE_v3_1, self).__init__(sf)
151
152
153 self.tag_category_label = 'Heteronucl_NOE'
154
155
156 self['HeteronuclNOEID'].tag_name = 'ID'
157 self['AssemblyAtomID1'].tag_name = 'Assembly_atom_ID_1'
158 self['EntityAssemblyID1'].tag_name = 'Entity_assembly_ID_1'
159 self['EntityID1'].tag_name = 'Entity_ID_1'
160 self['CompIndexID1'].tag_name = 'Comp_index_ID_1'
161 self['SeqID1'].tag_name = 'Seq_ID_1'
162 self['CompID1'].tag_name = 'Comp_ID_1'
163 self['AtomID1'].tag_name = 'Atom_ID_1'
164 self['AtomType1'].tag_name = 'Atom_type_1'
165 self['AtomIsotopeNumber1'].tag_name = 'Atom_isotope_number_1'
166 self['AssemblyAtomID2'].tag_name = 'Assembly_atom_ID_2'
167 self['EntityAssemblyID2'].tag_name = 'Entity_assembly_ID_2'
168 self['EntityID2'].tag_name = 'Entity_ID_2'
169 self['CompIndexID2'].tag_name = 'Comp_index_ID_2'
170 self['SeqID2'].tag_name = 'Seq_ID_2'
171 self['CompID2'].tag_name = 'Comp_ID_2'
172 self['AtomID2'].tag_name = 'Atom_ID_2'
173 self['AtomType2'].tag_name = 'Atom_type_2'
174 self['AtomIsotopeNumber2'].tag_name = 'Atom_isotope_number_2'
175 self['Val'].tag_name = 'Val'
176 self['ValErr'].tag_name = 'Val_err'
177 self['ResonanceID1'].tag_name = 'Resonance_ID_1'
178 self['ResonanceID2'].tag_name = 'Resonance_ID_2'
179 self['AuthEntityAssemblyID1'].tag_name = 'Auth_entity_assembly_ID_1'
180 self['AuthSeqID1'].tag_name = 'Auth_seq_ID_1'
181 self['AuthCompID1'].tag_name = 'Auth_comp_ID_1'
182 self['AuthAtomID1'].tag_name = 'Auth_atom_ID_1'
183 self['AuthEntityAssemblyID2'].tag_name = 'Auth_entity_assembly_ID_2'
184 self['AuthSeqID2'].tag_name = 'Auth_seq_ID_2'
185 self['AuthCompID2'].tag_name = 'Auth_comp_ID_2'
186 self['AuthAtomID2'].tag_name = 'Auth_atom_ID_2'
187 self['EntryID'].tag_name = 'Entry_ID'
188 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'
189