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23 """The v2.1 Heteronuclear T1 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/htmldocs/nmr_star/dictionary_files/complete_form_v21.txt.
28 """
29
30
31 from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe, HeteronuclT1List, HeteronuclT1Experiment, HeteronuclT1Software, T1
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33
35 """The v2.1 Heteronuclear T1 data saveframe class."""
36
37
38 name = 'T1'
39 label = 'heteronucl_T1'
40 sf_label = 'T1_relaxation'
41
50
51
53 """Perform some saveframe specific operations prior to XML creation."""
54
55
56 self.sf_framecode = '%s MHz heteronuclear R1 %s' % (self.frq, self.count)
57
58
59
61 """v2.1 HeteronuclT1List tag category."""
62
64 """Setup the HeteronuclT1List_v2_1 tag category.
65
66 @param sf: The saveframe object.
67 @type sf: saveframe instance
68 """
69
70
71 super(HeteronuclT1List_v2_1, self).__init__(sf)
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73
74 self['Details'].tag_name = 'Details'
75 self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label'
76 self['SpectrometerFrequency1H'].tag_name = 'Spectrometer_frequency_1H'
77 self['T1CoherenceType'].tag_name = 'T1_coherence_type'
78 self['T1ValUnits'].tag_name = 'T1_value_units'
79 self['TextDataFormat'].tag_name = 'Text_data_format'
80 self['TextData'].tag_name = 'Text_data'
81
82
83
85 """v2.1 HeteronuclT1Experiment tag category."""
86
88 """Setup the HeteronuclT1Experiment_v2_1 tag category.
89
90 @param sf: The saveframe object.
91 @type sf: saveframe instance
92 """
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94
95 super(HeteronuclT1Experiment_v2_1, self).__init__(sf)
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98 self['ExperimentName'].tag_name = 'Experiment_label'
99 self['SampleLabel'].tag_name = 'Sample_label'
100
101
102
104 """v2.1 HeteronuclT1Software tag category."""
105
107 """Setup the HeteronuclT1Software tag category.
108
109 @param sf: The saveframe object.
110 @type sf: saveframe instance
111 """
112
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114 super(HeteronuclT1Software_v2_1, self).__init__(sf)
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117 self['SoftwareLabel'].tag_name = 'Software_label'
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119
120
122 """v2.1 T1 tag category."""
123
125 """Setup the T1_v2_1 tag category.
126
127 @param sf: The saveframe object.
128 @type sf: saveframe instance
129 """
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131
132 super(T1_v2_1, self).__init__(sf)
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135 self['CompIndexID'].tag_name = 'Residue_seq_code'
136 self['CompID'].tag_name = 'Residue_label'
137 self['AtomID'].tag_name = 'Atom_name'
138 self['Val'].tag_name = 'T1_value'
139 self['ValErr'].tag_name = 'T1_value_error'
140