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23 """The v2.1 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/htmldocs/nmr_star/dictionary_files/complete_form_v21.txt.
28 """
29
30
31 from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE
32
33
35 """The v2.1 Heteronuclear NOE data saveframe class."""
36
37
38 name = 'Heteronuclear_NOE'
39 label = 'heteronucl_NOE'
40 sf_label = 'heteronuclear_NOE'
41
50
51
53 """Perform some saveframe specific operations prior to XML creation."""
54
55
56 self.sf_framecode = '%s MHz heteronuclear NOE %s' % (self.frq, self.count)
57
58
59
61 """v2.1 HeteronuclNOEList tag category."""
62
64 """Setup the HeteronuclNOEList_v2_1 tag category.
65
66 @param sf: The saveframe object.
67 @type sf: saveframe instance
68 """
69
70
71 super(HeteronuclNOEList_v2_1, self).__init__(sf)
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73
74 self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label'
75 self['SpectrometerFrequency1H'].tag_name = 'Spectrometer_frequency_1H'
76 self['HeteronuclearNOEValType'].tag_name = 'Heteronuclear_NOE_value_type'
77 self['NOERefVal'].tag_name = 'NOE_reference_value'
78 self['NOERefDescription'].tag_name = 'NOE_reference_description'
79 self['TextDataFormat'].tag_name = 'Text_data_format'
80 self['TextData'].tag_name = 'Text_data'
81
82
83
85 """v2.1 HeteronuclNOEExperiment tag category."""
86
88 """Setup the HeteronuclNOEExperiment_v2_1 tag category.
89
90 @param sf: The saveframe object.
91 @type sf: saveframe instance
92 """
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94
95 super(HeteronuclNOEExperiment_v2_1, self).__init__(sf)
96
97
98 self['ExperimentName'].tag_name = 'Experiment_label'
99 self['SampleLabel'].tag_name = 'Sample_label'
100
101
102
104 """v2.1 HeteronuclNOESoftware tag category."""
105
107 """Setup the HeteronuclNOESoftware tag category.
108
109 @param sf: The saveframe object.
110 @type sf: saveframe instance
111 """
112
113
114 super(HeteronuclNOESoftware_v2_1, self).__init__(sf)
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117 self['SoftwareLabel'].tag_name = 'Software_label'
118
119
121 """v2.1 HeteronuclNOE tag category."""
122
124 """Setup the HeteronuclNOE_v2_1 tag category.
125
126 @param sf: The saveframe object.
127 @type sf: saveframe instance
128 """
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130
131 super(HeteronuclNOE_v2_1, self).__init__(sf)
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134 self['CompIndexID1'].tag_name = 'Residue_seq_code'
135 self['CompID1'].tag_name = 'Residue_label'
136 self['Val'].tag_name = 'Heteronuclear_NOE_value'
137 self['ValErr'].tag_name = 'Heteronuclear_NOE_value_error'
138