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23 """The v2.1 Heteronuclear T1 data saveframe category.
24
25 See http://www.bmrb.wisc.edu/dictionary/htmldocs/nmr_star/dictionary_files/complete_form_v21.txt.
26 """
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28
29 from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe, HeteronuclT1List, HeteronuclT1Experiment, HeteronuclT1Software, T1
30
31
33 """The v2.1 Heteronuclear T1 data saveframe class."""
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35
36 name = 'T1'
37 label = 'heteronucl_T1'
38 sf_label = 'T1_relaxation'
39
48
49
51 """Perform some saveframe specific operations prior to XML creation."""
52
53
54 self.sf_framecode = '%s MHz heteronuclear R1 %s' % (self.frq, self.count)
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56
57
59 """v2.1 HeteronuclT1List tag category."""
60
62 """Setup the HeteronuclT1List_v2_1 tag category.
63
64 @param sf: The saveframe object.
65 @type sf: saveframe instance
66 """
67
68
69 super(HeteronuclT1List_v2_1, self).__init__(sf)
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71
72 self['Details'].tag_name = 'Details'
73 self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label'
74 self['SpectrometerFrequency1H'].tag_name = 'Spectrometer_frequency_1H'
75 self['T1CoherenceType'].tag_name = 'T1_coherence_type'
76 self['T1ValUnits'].tag_name = 'T1_value_units'
77 self['TextDataFormat'].tag_name = 'Text_data_format'
78 self['TextData'].tag_name = 'Text_data'
79
80
81
83 """v2.1 HeteronuclT1Experiment tag category."""
84
86 """Setup the HeteronuclT1Experiment_v2_1 tag category.
87
88 @param sf: The saveframe object.
89 @type sf: saveframe instance
90 """
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92
93 super(HeteronuclT1Experiment_v2_1, self).__init__(sf)
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96 self['ExperimentName'].tag_name = 'Experiment_label'
97 self['SampleLabel'].tag_name = 'Sample_label'
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99
100
102 """v2.1 HeteronuclT1Software tag category."""
103
105 """Setup the HeteronuclT1Software tag category.
106
107 @param sf: The saveframe object.
108 @type sf: saveframe instance
109 """
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111
112 super(HeteronuclT1Software_v2_1, self).__init__(sf)
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115 self['SoftwareLabel'].tag_name = 'Software_label'
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117
118
120 """v2.1 T1 tag category."""
121
123 """Setup the T1_v2_1 tag category.
124
125 @param sf: The saveframe object.
126 @type sf: saveframe instance
127 """
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129
130 super(T1_v2_1, self).__init__(sf)
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133 self['CompIndexID'].tag_name = 'Residue_seq_code'
134 self['CompID'].tag_name = 'Residue_label'
135 self['AtomID'].tag_name = 'Atom_name'
136 self['Val'].tag_name = 'T1_value'
137 self['ValErr'].tag_name = 'T1_value_error'
138