bmrblib.kinetics.heteronucl_NOEs_v3

1 ############################################################################# 2 # # 3 # The BMRB library. # 4 # # 5 # Copyright (C) 2009-2013 Edward d'Auvergne # 6 # # 7 # This program is free software: you can redistribute it and/or modify # 8 # it under the terms of the GNU General Public License as published by # 9 # the Free Software Foundation, either version 3 of the License, or # 10 # (at your option) any later version. # 11 # # 12 # This program is distributed in the hope that it will be useful, # 13 # but WITHOUT ANY WARRANTY; without even the implied warranty of # 14 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # 15 # GNU General Public License for more details. # 16 # # 17 # You should have received a copy of the GNU General Public License # 18 # along with this program. If not, see <http://www.gnu.org/licenses/>. # 19 # # 20 ############################################################################# 21 22 # Module docstring. 23 """The v3.1 Heteronuclear NOE data saveframe category. 24 25 This file is part of the U{BMRB library<https://gna.org/projects/bmrblib>}. 26 27 See http://www.bmrb.wisc.edu/dictionary/3.1html/SaveFramePage.html#heteronucl_NOEs. 28 """ 29 30 # relax module imports. 31 from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE 32 33

34 -class HeteronuclNOESaveframe_v3_1(HeteronuclNOESaveframe):

35 """The v3.1 Heteronuclear NOE data saveframe class.""" 36 37 # Class variables. 38 sf_label = 'heteronucl_NOEs' 39

40 - def add_tag_categories(self):

41 """Create the v3.1 tag categories.""" 42 43 # The tag category objects. 44 self.tag_categories.append(HeteronuclNOEList_v3_1(self)) 45 self.tag_categories.append(HeteronuclNOEExperiment_v3_1(self)) 46 self.tag_categories.append(HeteronuclNOESoftware_v3_1(self)) 47 self.tag_categories.append(HeteronuclNOE_v3_1(self))

48 49 50

51 -class HeteronuclNOEList_v3_1(HeteronuclNOEList):

52 """v3.1 HeteronuclNOEList tag category.""" 53

54 - def __init__(self, sf):

55 """Setup the HeteronuclNOEList_v3_1 tag category. 56 57 @param sf: The saveframe object. 58 @type sf: saveframe instance 59 """ 60 61 # Initialise the baseclass. 62 super(HeteronuclNOEList_v3_1, self).__init__(sf) 63 64 # The category name. 65 self.tag_category_label = 'Heteronucl_NOE_list' 66 67 # Change tag names. 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

86 -class HeteronuclNOEExperiment_v3_1(HeteronuclNOEExperiment):

87 """v3.1 HeteronuclNOEExperiment tag category.""" 88

89 - def __init__(self, sf):

90 """Setup the HeteronuclNOEExperiment_v3_1 tag category. 91 92 @param sf: The saveframe object. 93 @type sf: saveframe instance 94 """ 95 96 # Initialise the baseclass. 97 super(HeteronuclNOEExperiment_v3_1, self).__init__(sf) 98 99 # The category name. 100 self.tag_category_label = 'Heteronucl_NOE_experiment' 101 102 # Change tag names. 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

113 -class HeteronuclNOESoftware_v3_1(HeteronuclNOESoftware):

114 """v3.1 HeteronuclNOESoftware tag category.""" 115

116 - def __init__(self, sf):

117 """Setup the HeteronuclNOESoftware_v3_1 tag category. 118 119 @param sf: The saveframe object. 120 @type sf: saveframe instance 121 """ 122 123 # Initialise the baseclass. 124 super(HeteronuclNOESoftware_v3_1, self).__init__(sf) 125 126 # The category name. 127 self.tag_category_label = 'Heteronucl_NOE_software' 128 129 # Change tag names. 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

139 -class HeteronuclNOE_v3_1(HeteronuclNOE):

140 """v3.1 HeteronuclNOE tag category.""" 141

142 - def __init__(self, sf):

143 """Setup the HeteronuclNOE_v3_1 tag category. 144 145 @param sf: The saveframe object. 146 @type sf: saveframe instance 147 """ 148 149 # Initialise the baseclass. 150 super(HeteronuclNOE_v3_1, self).__init__(sf) 151 152 # The category name. 153 self.tag_category_label = 'Heteronucl_NOE' 154 155 # Add the tag info. 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

Source Code for Module bmrblib.kinetics.heteronucl_NOEs_v3_1