Source Code for Module bmrblib.kinetics.auto_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 Auto relaxation 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/3.1html/SaveFramePage.html#auto_relaxation. 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.kinetics.auto_relaxation import AutoRelaxationSaveframe, AutoRelaxationList, AutoRelaxationExperiment, AutoRelaxationSoftware, AutoRelaxation 
 32   
 33   
 34 -class AutoRelaxationSaveframe_v3_1(AutoRelaxationSaveframe): 
 35      """The v3.1 Auto relaxation data saveframe class.""" 
 36   
 37      # Class variables. 
 38      name = 'auto' 
 39      sf_label = 'auto_relaxation' 
 40   
 41 -    def add_tag_categories(self): 
 42          """Create the v3.1 tag categories.""" 
 43   
 44          # The tag category objects. 
 45          self.tag_categories.append(AutoRelaxationList_v3_1(self)) 
 46          self.tag_categories.append(AutoRelaxationExperiment_v3_1(self)) 
 47          self.tag_categories.append(AutoRelaxationSoftware_v3_1(self)) 
 48          self.tag_categories.append(AutoRelaxation_v3_1(self)) 
 49   
 50   
 51   
 52 -class AutoRelaxationList_v3_1(AutoRelaxationList): 
 53      """v3.1 AutoRelaxationList tag category.""" 
 54   
 55 -    def __init__(self, sf): 
 56          """Setup the AutoRelaxationList_v3_1 tag category. 
 57   
 58          @param sf:  The saveframe object. 
 59          @type sf:   saveframe instance 
 60          """ 
 61   
 62          # Initialise the baseclass. 
 63          super(AutoRelaxationList_v3_1, self).__init__(sf) 
 64   
 65          # The category name. 
 66          self.tag_category_label = 'Auto_relaxation_list' 
 67   
 68          # Change tag names. 
 69          self['SfCategory'].tag_name =               'Sf_category' 
 70          self['SfFramecode'].tag_name =              'Sf_framecode' 
 71          self['EntryID'].tag_name =                  'Entry_ID' 
 72          self['AutoRelaxationListID'].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['TempCalibrationMethod'].tag_name =    'Temp_calibration_method' 
 77          self['TempControlMethod'].tag_name =        'Temp_control_method' 
 78          self['SpectrometerFrequency1H'].tag_name =  'Spectrometer_frequency_1H' 
 79          self['CommonRelaxationTypeName'].tag_name = 'Common_relaxation_type_name' 
 80          self['RelaxationCoherenceType'].tag_name =  'Relaxation_coherence_type' 
 81          self['RelaxationValUnits'].tag_name =       'Relaxation_val_units' 
 82          self['RelaxationValType'].tag_name =        'Relaxation_val_type' 
 83          self['RexUnits'].tag_name =                 'Rex_units' 
 84          self['Details'].tag_name =                  'Details' 
 85          self['TextDataFormat'].tag_name =           'Text_data_format' 
 86          self['TextData'].tag_name =                 'Text_data' 
 87   
 88   
 89   
 90 -class AutoRelaxationExperiment_v3_1(AutoRelaxationExperiment): 
 91      """v3.1 AutoRelaxationExperiment tag category.""" 
 92   
 93 -    def __init__(self, sf): 
 94          """Setup the AutoRelaxationExperiment_v3_1 tag category. 
 95   
 96          @param sf:  The saveframe object. 
 97          @type sf:   saveframe instance 
 98          """ 
 99   
100          # Initialise the baseclass. 
101          super(AutoRelaxationExperiment_v3_1, self).__init__(sf) 
102   
103          # The category name. 
104          self.tag_category_label = 'Auto_relaxation_experiment' 
105   
106          # Change tag names. 
107          self['ExperimentID'].tag_name =         'Experiment_ID' 
108          self['ExperimentName'].tag_name =       'Experiment_name' 
109          self['SampleID'].tag_name =             'Sample_ID' 
110          self['SampleLabel'].tag_name =          'Sample_label' 
111          self['SampleState'].tag_name =          'Sample_state' 
112          self['EntryID'].tag_name =              'Entry_ID' 
113          self['AutoRelaxationListID'].tag_name = 'Auto_relaxation_list_ID' 
114   
115   
116   
117 -class AutoRelaxationSoftware_v3_1(AutoRelaxationSoftware): 
118      """v3.1 AutoRelaxationSoftware tag category.""" 
119   
120 -    def __init__(self, sf): 
121          """Setup the AutoRelaxationSoftware_v3_1 tag category. 
122   
123          @param sf:  The saveframe object. 
124          @type sf:   saveframe instance 
125          """ 
126   
127          # Initialise the baseclass. 
128          super(AutoRelaxationSoftware_v3_1, self).__init__(sf) 
129   
130          # The category name. 
131          self.tag_category_label = 'Auto_relaxation_software' 
132   
133          # Change tag names. 
134          self['SoftwareID'].tag_name =           'Software_ID' 
135          self['SoftwareLabel'].tag_name =        'Software_label' 
136          self['MethodID'].tag_name =             'Method_ID' 
137          self['MethodLabel'].tag_name =          'Method_label' 
138          self['EntryID'].tag_name =              'Entry_ID' 
139          self['AutoRelaxationListID'].tag_name = 'Auto_relaxation_list_ID' 
140   
141   
142   
143 -class AutoRelaxation_v3_1(AutoRelaxation): 
144      """v3.1 AutoRelaxation tag category.""" 
145   
146 -    def __init__(self, sf): 
147          """Setup the AutoRelaxation_v3_1 tag category. 
148   
149          @param sf:  The saveframe object. 
150          @type sf:   saveframe instance 
151          """ 
152   
153          # Initialise the baseclass. 
154          super(AutoRelaxation_v3_1, self).__init__(sf) 
155   
156          # The category name. 
157          self.tag_category_label = 'Auto_relaxation' 
158   
159          # Change tag names. 
160          self['AutoRelaxationID'].tag_name =     'ID' 
161          self['AssemblyID'].tag_name =           'Assembly_ID' 
162          self['AssemblyAtomID'].tag_name =       'Assembly_atom_ID' 
163          self['EntityAssemblyID'].tag_name =     'Entity_assembly_ID' 
164          self['EntityID'].tag_name =             'Entity_ID' 
165          self['CompIndexID'].tag_name =          'Comp_index_ID' 
166          self['SeqID'].tag_name =                'Seq_ID' 
167          self['CompID'].tag_name =               'Comp_ID' 
168          self['AtomID'].tag_name =               'Atom_ID' 
169          self['AtomType'].tag_name =             'Atom_type' 
170          self['AtomIsotopeNumber'].tag_name =    'Atom_isotope_number' 
171          self['Val'].tag_name =                  'Auto_relaxation_val' 
172          self['ValErr'].tag_name =               'Auto_relaxation_val_err' 
173          self['RexVal'].tag_name =               'Rex_val' 
174          self['RexErr'].tag_name =               'Rex_err' 
175          self['ResonanceID'].tag_name =          'Resonance_ID' 
176          self['AuthEntityAssemblyID'].tag_name = 'Auth_entity_assembly_ID' 
177          self['AuthSeqID'].tag_name =            'Auth_seq_ID' 
178          self['AuthCompID'].tag_name =           'Auth_comp_ID' 
179          self['AuthAtomID'].tag_name =           'Auth_atom_ID' 
180          self['EntryID'].tag_name =              'Entry_ID' 
181          self['AutoRelaxationListID'].tag_name = 'Auto_relaxation_list_ID' 
182