Source Code for Module bmrblib.kinetics.heteronucl_T1_relaxation_v3_1

  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 T1 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_T1_relaxation. 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe, HeteronuclT1List, HeteronuclT1Experiment, HeteronuclT1Software, T1 
 32   
 33   
 34 -class HeteronuclT1Saveframe_v3_1(HeteronuclT1Saveframe): 
 35      """The v3.1 Heteronuclear T1 data saveframe class.""" 
 36   
 37      # Class variables. 
 38      name = 'T1' 
 39      label = 'heteronucl_T1' 
 40      sf_label = 'heteronucl_T1_relaxation' 
 41   
 42 -    def add_tag_categories(self): 
 43          """Create the v3.1 tag categories.""" 
 44   
 45          # The tag category objects. 
 46          self.tag_categories.append(HeteronuclT1List_v3_1(self)) 
 47          self.tag_categories.append(HeteronuclT1Experiment_v3_1(self)) 
 48          self.tag_categories.append(HeteronuclT1Software_v3_1(self)) 
 49          self.tag_categories.append(T1_v3_1(self)) 
 50   
 51   
 52   
 53 -class HeteronuclT1List_v3_1(HeteronuclT1List): 
 54      """v3.1 HeteronuclT1List tag category.""" 
 55   
 56 -    def __init__(self, sf): 
 57          """Setup the HeteronuclT1List_v3_1 tag category. 
 58   
 59          @param sf:  The saveframe object. 
 60          @type sf:   saveframe instance 
 61          """ 
 62   
 63          # Initialise the baseclass. 
 64          super(HeteronuclT1List_v3_1, self).__init__(sf) 
 65   
 66          # The category name. 
 67          self.tag_category_label = 'Heteronucl_T1_list' 
 68   
 69          # Change tag names. 
 70          self['SfCategory'].tag_name =               'Sf_category' 
 71          self['SfFramecode'].tag_name =              'Sf_framecode' 
 72          self['HeteronuclT1ListID'].tag_name =       'ID' 
 73          self['DataFileName'].tag_name =             'Data_file_name' 
 74          self['SampleConditionListID'].tag_name =    'Sample_condition_list_ID' 
 75          self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label' 
 76          self['SpectrometerFrequency1H'].tag_name =  'Spectrometer_frequency_1H' 
 77          self['T1CoherenceType'].tag_name =          'T1_coherence_type' 
 78          self['T1ValUnits'].tag_name =               'T1_val_units' 
 79          self['Details'].tag_name =                  'Details' 
 80          self['TextDataFormat'].tag_name =           'Text_data_format' 
 81          self['TextData'].tag_name =                 'Text_data' 
 82   
 83   
 84   
 85 -class HeteronuclT1Experiment_v3_1(HeteronuclT1Experiment): 
 86      """v3.1 HeteronuclT1Experiment tag category.""" 
 87   
 88 -    def __init__(self, sf): 
 89          """Setup the HeteronuclT1Experiment_v3_1 tag category. 
 90   
 91          @param sf:  The saveframe object. 
 92          @type sf:   saveframe instance 
 93          """ 
 94   
 95          # Initialise the baseclass. 
 96          super(HeteronuclT1Experiment_v3_1, self).__init__(sf) 
 97   
 98          # The category name. 
 99          self.tag_category_label = 'Heteronucl_T1_experiment' 
100   
101          # Change tag names. 
102          self['ExperimentID'].tag_name =         'Experiment_ID' 
103          self['ExperimentName'].tag_name =       'Experiment_name' 
104          self['SampleID'].tag_name =             'Sample_ID' 
105          self['SampleLabel'].tag_name =          'Sample_label' 
106          self['SampleState'].tag_name =          'Sample_state' 
107          self['EntryID'].tag_name =              'Entry_ID' 
108          self['HeteronuclT1ListID'].tag_name =   'Heteronucl_T1_list_ID' 
109   
110   
111   
112 -class HeteronuclT1Software_v3_1(HeteronuclT1Software): 
113      """v3.1 HeteronuclT1Software tag category.""" 
114   
115 -    def __init__(self, sf): 
116          """Setup the HeteronuclT1Software_v3_1 tag category. 
117   
118          @param sf:  The saveframe object. 
119          @type sf:   saveframe instance 
120          """ 
121   
122          # Initialise the baseclass. 
123          super(HeteronuclT1Software_v3_1, self).__init__(sf) 
124   
125          # The category name. 
126          self.tag_category_label = 'Heteronucl_T1_software' 
127   
128          # Change tag names. 
129          self['SoftwareID'].tag_name =           'Software_ID' 
130          self['SoftwareLabel'].tag_name =        'Software_label' 
131          self['MethodID'].tag_name =             'Method_ID' 
132          self['MethodLabel'].tag_name =          'Method_label' 
133          self['EntryID'].tag_name =              'Entry_ID' 
134          self['HeteronuclT1ListID'].tag_name =   'Heteronucl_T1_list_ID' 
135   
136   
137   
138 -class T1_v3_1(T1): 
139      """v3.1 T1 tag category.""" 
140   
141 -    def __init__(self, sf): 
142          """Setup the T1_v3_1 tag category. 
143   
144          @param sf:  The saveframe object. 
145          @type sf:   saveframe instance 
146          """ 
147   
148          # Initialise the baseclass. 
149          super(T1_v3_1, self).__init__(sf) 
150   
151          # The category name. 
152          self.tag_category_label = 'T1' 
153   
154          # Change tag names. 
155          self['RxID'].tag_name =                 'ID' 
156          self['AssemblyAtomID'].tag_name =       'Assembly_atom_ID' 
157          self['EntityAssemblyID'].tag_name =     'Entity_assembly_ID' 
158          self['EntityID'].tag_name =             'Entity_ID' 
159          self['CompIndexID'].tag_name =          'Comp_index_ID' 
160          self['SeqID'].tag_name =                'Seq_ID' 
161          self['CompID'].tag_name =               'Comp_ID' 
162          self['AtomID'].tag_name =               'Atom_ID' 
163          self['AtomType'].tag_name =             'Atom_type' 
164          self['AtomIsotopeNumber'].tag_name =    'Atom_isotope_number' 
165          self['Val'].tag_name =                  'Val' 
166          self['ValErr'].tag_name =               'Val_err' 
167          self['ResonanceID'].tag_name =          'Resonance_ID' 
168          self['AuthEntityAssemblyID'].tag_name = 'Auth_entity_assembly_ID' 
169          self['AuthSeqID'].tag_name =            'Auth_seq_ID' 
170          self['AuthCompID'].tag_name =           'Auth_comp_ID' 
171          self['AuthAtomID'].tag_name =           'Auth_atom_ID' 
172          self['EntryID'].tag_name =              'Entry_ID' 
173          self['HeteronuclT1ListID'].tag_name =   'Heteronucl_T1_list_ID' 
174