Source Code for Module bmrblib.NMR_parameters.chem_shift_anisotropy_v3_1

  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.                                       # 
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 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 chemical shift anisotropy data saveframe category. 
 24   
 25  See http://www.bmrb.wisc.edu/dictionary/3.1html_frame/frame_SaveFramePage.html#chem_shift_anisotropy 
 26  """ 
 27   
 28  # relax module imports. 
 29  from bmrblib.NMR_parameters.chem_shift_anisotropy import ChemShiftAnisotropySaveframe, ChemShiftAnisotropy, CSAnisotropyExperiment, CSAnisotropySoftware, CSAnisotropy 
 30   
 31   
 32 -class ChemShiftAnisotropySaveframe_v3_1(ChemShiftAnisotropySaveframe): 
 33      """The v3.1 chemical shift anisotropy data saveframe class.""" 
 34   
 35 -    def add_tag_categories(self): 
 36          """Create the v3.1 tag categories.""" 
 37   
 38          # The tag category objects. 
 39          self.tag_categories.append(ChemShiftAnisotropy_v3_1(self)) 
 40          self.tag_categories.append(CSAnisotropyExperiment_v3_1(self)) 
 41          self.tag_categories.append(CSAnisotropySoftware_v3_1(self)) 
 42          self.tag_categories.append(CSAnisotropy_v3_1(self)) 
 43   
 44   
 45   
 46 -class ChemShiftAnisotropy_v3_1(ChemShiftAnisotropy): 
 47      """v3.1 ChemShiftAnisotropy tag category.""" 
 48   
 49 -    def __init__(self, sf): 
 50          """Setup the ChemShiftAnisotropy_v3_1 tag category. 
 51   
 52          @param sf:  The saveframe object. 
 53          @type sf:   saveframe instance 
 54          """ 
 55   
 56          # Initialise the baseclass. 
 57          super(ChemShiftAnisotropy_v3_1, self).__init__(sf) 
 58   
 59          # The category name. 
 60          self.tag_category_label = 'Chem_shift_anisotropy' 
 61   
 62          # Change tag names. 
 63          self['SfCategory'].tag_name = 'Sf_category' 
 64          self['SfFramecode'].tag_name = 'Sf_framecode' 
 65          self['ChemShiftAnisotropyID'].tag_name =    'ID' 
 66          self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label' 
 67   
 68   
 69   
 70 -class CSAnisotropyExperiment_v3_1(CSAnisotropyExperiment): 
 71      """v3.1 CSAnisotropyExperiment tag category.""" 
 72   
 73 -    def __init__(self, sf): 
 74          """Setup the CSAnisotropyExperiment_v3_1 tag category. 
 75   
 76          @param sf:  The saveframe object. 
 77          @type sf:   saveframe instance 
 78          """ 
 79   
 80          # Initialise the baseclass. 
 81          super(CSAnisotropyExperiment_v3_1, self).__init__(sf) 
 82   
 83          # The category name. 
 84          self.tag_category_label = 'CS_anisotropy_experiment' 
 85   
 86   
 87   
 88 -class CSAnisotropySoftware_v3_1(CSAnisotropySoftware): 
 89      """v3.1 CSAnisotropySoftware tag category.""" 
 90   
 91 -    def __init__(self, sf): 
 92          """Setup the CSAnisotropySoftware_v3_1 tag category. 
 93   
 94          @param sf:  The saveframe object. 
 95          @type sf:   saveframe instance 
 96          """ 
 97   
 98          # Initialise the baseclass. 
 99          super(CSAnisotropySoftware_v3_1, self).__init__(sf) 
100   
101          # The category name. 
102          self.tag_category_label = 'CS_anisotropy_software' 
103   
104   
105   
106 -class CSAnisotropy_v3_1(CSAnisotropy): 
107      """v3.1 CSAnisotropy tag category.""" 
108   
109 -    def __init__(self, sf): 
110          """Setup the CSAnisotropy_v3_1 tag category. 
111   
112          @param sf:  The saveframe object. 
113          @type sf:   saveframe instance 
114          """ 
115   
116          # Initialise the baseclass. 
117          super(CSAnisotropy_v3_1, self).__init__(sf) 
118   
119          # The category name. 
120          self.tag_category_label = 'CS_anisotropy' 
121   
122          # Change tag names. 
123          self['CSAnisotropyID'].tag_name =   'ID' 
124          self['CompIndexID'].tag_name =      'Comp_index_ID' 
125          self['CompID'].tag_name =           'Comp_ID' 
126          self['AtomID'].tag_name =           'Atom_ID' 
127          self['Val'].tag_name =              'Val' 
128          self['ValErr'].tag_name =           'Val_err' 
129