Source Code for Module bmrblib.NMR_parameters.chem_shift_anisotropy_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 chemical shift anisotropy 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_frame/frame_SaveFramePage.html#chem_shift_anisotropy 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.NMR_parameters.chem_shift_anisotropy import ChemShiftAnisotropySaveframe, ChemShiftAnisotropy, CSAnisotropyExperiment, CSAnisotropySoftware, CSAnisotropy 
 32   
 33   
 34 -class ChemShiftAnisotropySaveframe_v3_1(ChemShiftAnisotropySaveframe): 
 35      """The v3.1 chemical shift anisotropy data saveframe class.""" 
 36   
 37 -    def add_tag_categories(self): 
 38          """Create the v3.1 tag categories.""" 
 39   
 40          # The tag category objects. 
 41          self.tag_categories.append(ChemShiftAnisotropy_v3_1(self)) 
 42          self.tag_categories.append(CSAnisotropyExperiment_v3_1(self)) 
 43          self.tag_categories.append(CSAnisotropySoftware_v3_1(self)) 
 44          self.tag_categories.append(CSAnisotropy_v3_1(self)) 
 45   
 46   
 47   
 48 -class ChemShiftAnisotropy_v3_1(ChemShiftAnisotropy): 
 49      """v3.1 ChemShiftAnisotropy tag category.""" 
 50   
 51 -    def __init__(self, sf): 
 52          """Setup the ChemShiftAnisotropy_v3_1 tag category. 
 53   
 54          @param sf:  The saveframe object. 
 55          @type sf:   saveframe instance 
 56          """ 
 57   
 58          # Initialise the baseclass. 
 59          super(ChemShiftAnisotropy_v3_1, self).__init__(sf) 
 60   
 61          # The category name. 
 62          self.tag_category_label = 'Chem_shift_anisotropy' 
 63   
 64          # Change tag names. 
 65          self['SfCategory'].tag_name = 'Sf_category' 
 66          self['SfFramecode'].tag_name = 'Sf_framecode' 
 67          self['ChemShiftAnisotropyID'].tag_name =    'ID' 
 68          self['SampleConditionListLabel'].tag_name = 'Sample_condition_list_label' 
 69   
 70   
 71   
 72 -class CSAnisotropyExperiment_v3_1(CSAnisotropyExperiment): 
 73      """v3.1 CSAnisotropyExperiment tag category.""" 
 74   
 75 -    def __init__(self, sf): 
 76          """Setup the CSAnisotropyExperiment_v3_1 tag category. 
 77   
 78          @param sf:  The saveframe object. 
 79          @type sf:   saveframe instance 
 80          """ 
 81   
 82          # Initialise the baseclass. 
 83          super(CSAnisotropyExperiment_v3_1, self).__init__(sf) 
 84   
 85          # The category name. 
 86          self.tag_category_label = 'CS_anisotropy_experiment' 
 87   
 88   
 89   
 90 -class CSAnisotropySoftware_v3_1(CSAnisotropySoftware): 
 91      """v3.1 CSAnisotropySoftware tag category.""" 
 92   
 93 -    def __init__(self, sf): 
 94          """Setup the CSAnisotropySoftware_v3_1 tag category. 
 95   
 96          @param sf:  The saveframe object. 
 97          @type sf:   saveframe instance 
 98          """ 
 99   
100          # Initialise the baseclass. 
101          super(CSAnisotropySoftware_v3_1, self).__init__(sf) 
102   
103          # The category name. 
104          self.tag_category_label = 'CS_anisotropy_software' 
105   
106   
107   
108 -class CSAnisotropy_v3_1(CSAnisotropy): 
109      """v3.1 CSAnisotropy tag category.""" 
110   
111 -    def __init__(self, sf): 
112          """Setup the CSAnisotropy_v3_1 tag category. 
113   
114          @param sf:  The saveframe object. 
115          @type sf:   saveframe instance 
116          """ 
117   
118          # Initialise the baseclass. 
119          super(CSAnisotropy_v3_1, self).__init__(sf) 
120   
121          # The category name. 
122          self.tag_category_label = 'CS_anisotropy' 
123   
124          # Change tag names. 
125          self['CSAnisotropyID'].tag_name =   'ID' 
126          self['CompIndexID'].tag_name =      'Comp_index_ID' 
127          self['CompID'].tag_name =           'Comp_ID' 
128          self['AtomID'].tag_name =           'Atom_ID' 
129          self['Val'].tag_name =              'Val' 
130          self['ValErr'].tag_name =           'Val_err' 
131