Source Code for Module bmrblib.kinetics.heteronucl_NOEs_v2_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.                                       # 
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 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 v2.1 Heteronuclear NOE 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/htmldocs/nmr_star/dictionary_files/complete_form_v21.txt. 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE 
 32   
 33   
 34 -class HeteronuclNOESaveframe_v2_1(HeteronuclNOESaveframe): 
 35      """The v2.1 Heteronuclear NOE data saveframe class.""" 
 36   
 37      # Class variables. 
 38      name = 'Heteronuclear_NOE' 
 39      label = 'heteronucl_NOE' 
 40      sf_label = 'heteronuclear_NOE' 
 41   
 42 -    def add_tag_categories(self): 
 43          """Create the v2.1 tag categories.""" 
 44   
 45          # The tag category objects. 
 46          self.tag_categories.append(HeteronuclNOEList_v2_1(self)) 
 47          self.tag_categories.append(HeteronuclNOEExperiment_v2_1(self)) 
 48          self.tag_categories.append(HeteronuclNOESoftware_v2_1(self)) 
 49          self.tag_categories.append(HeteronuclNOE_v2_1(self)) 
 50   
 51   
 52 -    def pre_ops(self): 
 53          """Perform some saveframe specific operations prior to XML creation.""" 
 54   
 55          # The saveframe description. 
 56          self.sf_framecode = '%s MHz heteronuclear NOE %s' % (self.frq, self.count) 
 57   
 58   
 59   
 60 -class HeteronuclNOEList_v2_1(HeteronuclNOEList): 
 61      """v2.1 HeteronuclNOEList tag category.""" 
 62   
 63 -    def __init__(self, sf): 
 64          """Setup the HeteronuclNOEList_v2_1 tag category. 
 65   
 66          @param sf:  The saveframe object. 
 67          @type sf:   saveframe instance 
 68          """ 
 69   
 70          # Initialise the baseclass. 
 71          super(HeteronuclNOEList_v2_1, self).__init__(sf) 
 72   
 73          # Add the tag info. 
 74          self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label' 
 75          self['SpectrometerFrequency1H'].tag_name =  'Spectrometer_frequency_1H' 
 76          self['HeteronuclearNOEValType'].tag_name =  'Heteronuclear_NOE_value_type' 
 77          self['NOERefVal'].tag_name =                'NOE_reference_value' 
 78          self['NOERefDescription'].tag_name =        'NOE_reference_description' 
 79          self['TextDataFormat'].tag_name =           'Text_data_format' 
 80          self['TextData'].tag_name =                 'Text_data' 
 81   
 82   
 83   
 84 -class HeteronuclNOEExperiment_v2_1(HeteronuclNOEExperiment): 
 85      """v2.1 HeteronuclNOEExperiment tag category.""" 
 86   
 87 -    def __init__(self, sf): 
 88          """Setup the HeteronuclNOEExperiment_v2_1 tag category. 
 89   
 90          @param sf:  The saveframe object. 
 91          @type sf:   saveframe instance 
 92          """ 
 93   
 94          # Initialise the baseclass. 
 95          super(HeteronuclNOEExperiment_v2_1, self).__init__(sf) 
 96   
 97          # Add the tag info. 
 98          self['ExperimentName'].tag_name = 'Experiment_label' 
 99          self['SampleLabel'].tag_name = 'Sample_label' 
100   
101   
102   
103 -class HeteronuclNOESoftware_v2_1(HeteronuclNOESoftware): 
104      """v2.1 HeteronuclNOESoftware tag category.""" 
105   
106 -    def __init__(self, sf): 
107          """Setup the HeteronuclNOESoftware tag category. 
108   
109          @param sf:  The saveframe object. 
110          @type sf:   saveframe instance 
111          """ 
112   
113          # Initialise the baseclass. 
114          super(HeteronuclNOESoftware_v2_1, self).__init__(sf) 
115   
116          # Add the tag info. 
117          self['SoftwareLabel'].tag_name =       'Software_label' 
118   
119   
120 -class HeteronuclNOE_v2_1(HeteronuclNOE): 
121      """v2.1 HeteronuclNOE tag category.""" 
122   
123 -    def __init__(self, sf): 
124          """Setup the HeteronuclNOE_v2_1 tag category. 
125   
126          @param sf:  The saveframe object. 
127          @type sf:   saveframe instance 
128          """ 
129   
130          # Initialise the baseclass. 
131          super(HeteronuclNOE_v2_1, self).__init__(sf) 
132   
133          # Change tag names. 
134          self['CompIndexID1'].tag_name =         'Residue_seq_code' 
135          self['CompID1'].tag_name =              'Residue_label' 
136          self['Val'].tag_name =                  'Heteronuclear_NOE_value' 
137          self['ValErr'].tag_name =               'Heteronuclear_NOE_value_error' 
138