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23 """The Heteronuclear T1 data saveframe category.
24
25 This file is part of the U{BMRB library<https://gna.org/projects/bmrblib>}.
26
27 For example, see http://www.bmrb.wisc.edu/dictionary/3.1html/SaveFramePage.html#heteronucl_T1_relaxation.
28 """
29
30
31 from bmrblib.base_classes import BaseSaveframe, TagCategory, TagCategoryFree
32
33
35 """The Heteronuclear T1 data saveframe class."""
36
37
38
40 """Base class for the HeteronuclT1List tag category."""
41
43 """Setup the HeteronuclT1List tag category.
44
45 @param sf: The saveframe object.
46 @type sf: saveframe instance
47 """
48
49
50 super(HeteronuclT1List, self).__init__(sf)
51
52
53 self.add(key='EntryID', var_name='entry_id', format='str')
54 self.add(key='HeteronuclT1ListID', var_name='count_str', format='int')
55 self.add(key='DataFileName', var_name='data_file_name', format='str')
56 self.add(key='SampleConditionListID', var_name='sample_cond_list_id', format='int')
57 self.add(key='SampleConditionListLabel', var_name='sample_cond_list_label', format='str', default='$conditions_1')
58 self.add(key='SpectrometerFrequency1H', var_name='frq', format='float')
59 self.add(key='T1CoherenceType', var_name='coherence', format='str', default='Nz')
60 self.add(key='T1ValUnits', var_name='units', format='str', default='1/s')
61 self.add(key='Details', var_name='details', format='str')
62 self.add(key='TextDataFormat', var_name='text_data_format', format='str')
63 self.add(key='TextData', var_name='text_data', format='str')
64
65
66
68 """Base class for the HeteronuclT1Experiment tag category."""
69
71 """Setup the HeteronuclT1Experiment tag category.
72
73 @param sf: The saveframe object.
74 @type sf: saveframe instance
75 """
76
77
78 super(HeteronuclT1Experiment, self).__init__(sf)
79
80
81 self.add(key='ExperimentID', var_name='experiment_id', format='int')
82 self.add(key='ExperimentName', var_name='experiment_name', format='str')
83 self.add(key='SampleID', var_name='sample_id', format='int')
84 self.add(key='SampleLabel', var_name='sample_label', format='str', default='$sample_1')
85 self.add(key='SampleState', var_name='sample_state', format='str')
86 self.add(key='EntryID', var_name='entry_id', format='str')
87 self.add(key='HeteronuclT1ListID', var_name='heteronucl_t1_list_id', format='int')
88
89
90
92 """Base class for the HeteronuclT1Software tag category."""
93
95 """Setup the HeteronuclT1Software tag category.
96
97 @param sf: The saveframe object.
98 @type sf: saveframe instance
99 """
100
101
102 super(HeteronuclT1Software, self).__init__(sf)
103
104
105 self.add(key='SoftwareID', var_name='software_id', format='int')
106 self.add(key='SoftwareLabel', var_name='software_label', format='str')
107 self.add(key='MethodID', var_name='method_id', format='int')
108 self.add(key='MethodLabel', var_name='method_label', format='str')
109 self.add(key='EntryID', var_name='entry_id', format='str')
110 self.add(key='HeteronuclT1ListID', var_name='heteronucl_t1_list_id', format='int')
111
112
113
114 -class T1(TagCategory):
115 """Base class for the T1 tag category."""
116
118 """Setup the T1 tag category.
119
120 @param sf: The saveframe object.
121 @type sf: saveframe instance
122 """
123
124
125 super(T1, self).__init__(sf)
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127
128 self.add(key='RxID', var_name='data_ids', format='int')
129 self.add(key='AssemblyAtomID', var_name='assembly_atom_ids', format='int')
130 self.add(key='EntityAssemblyID', var_name='entity_assembly_ids', format='int')
131 self.add(key='EntityID', var_name='entity_ids', format='int')
132 self.add(key='CompIndexID', var_name='res_nums', format='int')
133 self.add(key='SeqID', var_name='seq_id', format='int')
134 self.add(key='CompID', var_name='res_names', format='str')
135 self.add(key='AtomID', var_name='atom_names', format='str')
136 self.add(key='AtomType', var_name='atom_types', format='str')
137 self.add(key='AtomIsotopeNumber', var_name='isotope', format='int')
138 self.add(key='Val', var_name='data', format='float')
139 self.add(key='ValErr', var_name='errors', format='float')
140 self.add(key='ResonanceID', var_name='resonance_id', format='int')
141 self.add(key='AuthEntityAssemblyID', var_name='auth_entity_assembly_id', format='str')
142 self.add(key='AuthSeqID', var_name='auth_seq_id', format='str')
143 self.add(key='AuthCompID', var_name='auth_comp_id', format='str')
144 self.add(key='AuthAtomID', var_name='auth_atom_id', format='str')
145 self.add(key='EntryID', var_name='entry_id', format='str')
146 self.add(key='HeteronuclT1ListID', var_name='heteronucl_t1_list_id', format='int')
147