bmrblib.kinetics.heteronucl_NOEs_v3

1 ############################################################################# 2 # # 3 # The BMRB library. # 4 # # 5 # Copyright (C) 2009-2010 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 See http://www.bmrb.wisc.edu/dictionary/3.1html/SaveFramePage.html#heteronucl_NOEs. 26 """ 27 28 # relax module imports. 29 from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE 30 31

32 -class HeteronuclNOESaveframe_v3_1(HeteronuclNOESaveframe):

33 """The v3.1 Heteronuclear NOE data saveframe class.""" 34 35 # Class variables. 36 sf_label = 'heteronucl_NOEs' 37

38 - def add_tag_categories(self):

39 """Create the v3.1 tag categories.""" 40 41 # The tag category objects. 42 self.tag_categories.append(HeteronuclNOEList_v3_1(self)) 43 self.tag_categories.append(HeteronuclNOEExperiment_v3_1(self)) 44 self.tag_categories.append(HeteronuclNOESoftware_v3_1(self)) 45 self.tag_categories.append(HeteronuclNOE_v3_1(self))

46 47 48

49 -class HeteronuclNOEList_v3_1(HeteronuclNOEList):

50 """v3.1 HeteronuclNOEList tag category.""" 51

52 - def __init__(self, sf):

53 """Setup the HeteronuclNOEList_v3_1 tag category. 54 55 @param sf: The saveframe object. 56 @type sf: saveframe instance 57 """ 58 59 # Initialise the baseclass. 60 super(HeteronuclNOEList_v3_1, self).__init__(sf) 61 62 # The category name. 63 self.tag_category_label = 'Heteronucl_NOE_list' 64 65 # Change tag names. 66 self['SfCategory'].tag_name = 'Sf_category' 67 self['SfFramecode'].tag_name = 'Sf_framecode' 68 self['HeteronuclNOEListID'].tag_name = 'ID' 69 self['DataFileName'].tag_name = 'Data_file_name' 70 self['SampleConditionListID'].tag_name = 'Sample_condition_list_ID' 71 self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label' 72 self['SpectrometerFrequency1H'].tag_name = 'Spectrometer_frequency_1H' 73 self['TempCalibrationMethod'].tag_name = 'Temp_calibration_method' 74 self['TempControlMethod'].tag_name = 'Temp_control_method' 75 self['HeteronuclearNOEValType'].tag_name = 'Heteronuclear_NOE_val_type' 76 self['NOERefVal'].tag_name = 'NOE_ref_val' 77 self['NOERefDescription'].tag_name = 'NOE_ref_description' 78 self['Details'].tag_name = 'Details' 79 self['TextDataFormat'].tag_name = 'Text_data_format' 80 self['TextData'].tag_name = 'Text_data'

81 82 83

84 -class HeteronuclNOEExperiment_v3_1(HeteronuclNOEExperiment):

85 """v3.1 HeteronuclNOEExperiment tag category.""" 86

87 - def __init__(self, sf):

88 """Setup the HeteronuclNOEExperiment_v3_1 tag category. 89 90 @param sf: The saveframe object. 91 @type sf: saveframe instance 92 """ 93 94 # Initialise the baseclass. 95 super(HeteronuclNOEExperiment_v3_1, self).__init__(sf) 96 97 # The category name. 98 self.tag_category_label = 'Heteronucl_NOE_experiment' 99 100 # Change tag names. 101 self['ExperimentID'].tag_name = 'Experiment_ID' 102 self['ExperimentName'].tag_name = 'Experiment_name' 103 self['SampleID'].tag_name = 'Sample_ID' 104 self['SampleLabel'].tag_name = 'Sample_label' 105 self['SampleState'].tag_name = 'Sample_state' 106 self['EntryID'].tag_name = 'Entry_ID' 107 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'

108 109 110

111 -class HeteronuclNOESoftware_v3_1(HeteronuclNOESoftware):

112 """v3.1 HeteronuclNOESoftware tag category.""" 113

114 - def __init__(self, sf):

115 """Setup the HeteronuclNOESoftware_v3_1 tag category. 116 117 @param sf: The saveframe object. 118 @type sf: saveframe instance 119 """ 120 121 # Initialise the baseclass. 122 super(HeteronuclNOESoftware_v3_1, self).__init__(sf) 123 124 # The category name. 125 self.tag_category_label = 'Heteronucl_NOE_software' 126 127 # Change tag names. 128 self['SoftwareID'].tag_name = 'Software_ID' 129 self['SoftwareLabel'].tag_name = 'Software_label' 130 self['MethodID'].tag_name = 'Method_ID' 131 self['MethodLabel'].tag_name = 'Method_label' 132 self['EntryID'].tag_name = 'Entry_ID' 133 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'

134 135 136

137 -class HeteronuclNOE_v3_1(HeteronuclNOE):

138 """v3.1 HeteronuclNOE tag category.""" 139

140 - def __init__(self, sf):

141 """Setup the HeteronuclNOE_v3_1 tag category. 142 143 @param sf: The saveframe object. 144 @type sf: saveframe instance 145 """ 146 147 # Initialise the baseclass. 148 super(HeteronuclNOE_v3_1, self).__init__(sf) 149 150 # The category name. 151 self.tag_category_label = 'Heteronucl_NOE' 152 153 # Add the tag info. 154 self['HeteronuclNOEID'].tag_name = 'ID' 155 self['AssemblyAtomID1'].tag_name = 'Assembly_atom_ID_1' 156 self['EntityAssemblyID1'].tag_name = 'Entity_assembly_ID_1' 157 self['EntityID1'].tag_name = 'Entity_ID_1' 158 self['CompIndexID1'].tag_name = 'Comp_index_ID_1' 159 self['SeqID1'].tag_name = 'Seq_ID_1' 160 self['CompID1'].tag_name = 'Comp_ID_1' 161 self['AtomID1'].tag_name = 'Atom_ID_1' 162 self['AtomType1'].tag_name = 'Atom_type_1' 163 self['AtomIsotopeNumber1'].tag_name = 'Atom_isotope_number_1' 164 self['AssemblyAtomID2'].tag_name = 'Assembly_atom_ID_2' 165 self['EntityAssemblyID2'].tag_name = 'Entity_assembly_ID_2' 166 self['EntityID2'].tag_name = 'Entity_ID_2' 167 self['CompIndexID2'].tag_name = 'Comp_index_ID_2' 168 self['SeqID2'].tag_name = 'Seq_ID_2' 169 self['CompID2'].tag_name = 'Comp_ID_2' 170 self['AtomID2'].tag_name = 'Atom_ID_2' 171 self['AtomType2'].tag_name = 'Atom_type_2' 172 self['AtomIsotopeNumber2'].tag_name = 'Atom_isotope_number_2' 173 self['Val'].tag_name = 'Val' 174 self['ValErr'].tag_name = 'Val_err' 175 self['ResonanceID1'].tag_name = 'Resonance_ID_1' 176 self['ResonanceID2'].tag_name = 'Resonance_ID_2' 177 self['AuthEntityAssemblyID1'].tag_name = 'Auth_entity_assembly_ID_1' 178 self['AuthSeqID1'].tag_name = 'Auth_seq_ID_1' 179 self['AuthCompID1'].tag_name = 'Auth_comp_ID_1' 180 self['AuthAtomID1'].tag_name = 'Auth_atom_ID_1' 181 self['AuthEntityAssemblyID2'].tag_name = 'Auth_entity_assembly_ID_2' 182 self['AuthSeqID2'].tag_name = 'Auth_seq_ID_2' 183 self['AuthCompID2'].tag_name = 'Auth_comp_ID_2' 184 self['AuthAtomID2'].tag_name = 'Auth_atom_ID_2' 185 self['EntryID'].tag_name = 'Entry_ID' 186 self['HeteronuclNOEListID'].tag_name = 'Heteronucl_NOE_list_ID'

187

Source Code for Module bmrblib.kinetics.heteronucl_NOEs_v3_1