Source Code for Module bmrblib.kinetics.heteronucl_NOEs_v2_1

  1  ############################################################################# 
  2  #                                                                           # 
  3  # The BMRB library.                                                         # 
  4  #                                                                           # 
  5  # Copyright (C) 2009-2011 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 v2.1 Heteronuclear NOE data saveframe category. 
 24   
 25  See http://www.bmrb.wisc.edu/dictionary/htmldocs/nmr_star/dictionary_files/complete_form_v21.txt. 
 26  """ 
 27   
 28  # relax module imports. 
 29  from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe, HeteronuclNOEList, HeteronuclNOEExperiment, HeteronuclNOESoftware, HeteronuclNOE 
 30   
 31   
 32 -class HeteronuclNOESaveframe_v2_1(HeteronuclNOESaveframe): 
 33      """The v2.1 Heteronuclear NOE data saveframe class.""" 
 34   
 35      # Class variables. 
 36      name = 'Heteronuclear_NOE' 
 37      label = 'heteronucl_NOE' 
 38      sf_label = 'heteronuclear_NOE' 
 39   
 40 -    def add_tag_categories(self): 
 41          """Create the v2.1 tag categories.""" 
 42   
 43          # The tag category objects. 
 44          self.tag_categories.append(HeteronuclNOEList_v2_1(self)) 
 45          self.tag_categories.append(HeteronuclNOEExperiment_v2_1(self)) 
 46          self.tag_categories.append(HeteronuclNOESoftware_v2_1(self)) 
 47          self.tag_categories.append(HeteronuclNOE_v2_1(self)) 
 48   
 49   
 50 -    def pre_ops(self): 
 51          """Perform some saveframe specific operations prior to XML creation.""" 
 52   
 53          # The saveframe description. 
 54          self.sf_framecode = '%s MHz heteronuclear NOE %s' % (self.frq, self.count) 
 55   
 56   
 57   
 58 -class HeteronuclNOEList_v2_1(HeteronuclNOEList): 
 59      """v2.1 HeteronuclNOEList tag category.""" 
 60   
 61 -    def __init__(self, sf): 
 62          """Setup the HeteronuclNOEList_v2_1 tag category. 
 63   
 64          @param sf:  The saveframe object. 
 65          @type sf:   saveframe instance 
 66          """ 
 67   
 68          # Initialise the baseclass. 
 69          super(HeteronuclNOEList_v2_1, self).__init__(sf) 
 70   
 71          # Add the tag info. 
 72          self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label' 
 73          self['SpectrometerFrequency1H'].tag_name =  'Spectrometer_frequency_1H' 
 74          self['HeteronuclearNOEValType'].tag_name =  'Heteronuclear_NOE_value_type' 
 75          self['NOERefVal'].tag_name =                'NOE_reference_value' 
 76          self['NOERefDescription'].tag_name =        'NOE_reference_description' 
 77          self['TextDataFormat'].tag_name =           'Text_data_format' 
 78          self['TextData'].tag_name =                 'Text_data' 
 79   
 80   
 81   
 82 -class HeteronuclNOEExperiment_v2_1(HeteronuclNOEExperiment): 
 83      """v2.1 HeteronuclNOEExperiment tag category.""" 
 84   
 85 -    def __init__(self, sf): 
 86          """Setup the HeteronuclNOEExperiment_v2_1 tag category. 
 87   
 88          @param sf:  The saveframe object. 
 89          @type sf:   saveframe instance 
 90          """ 
 91   
 92          # Initialise the baseclass. 
 93          super(HeteronuclNOEExperiment_v2_1, self).__init__(sf) 
 94   
 95          # Add the tag info. 
 96          self['ExperimentName'].tag_name = 'Experiment_label' 
 97          self['SampleLabel'].tag_name = 'Sample_label' 
 98   
 99   
100   
101 -class HeteronuclNOESoftware_v2_1(HeteronuclNOESoftware): 
102      """v2.1 HeteronuclNOESoftware tag category.""" 
103   
104 -    def __init__(self, sf): 
105          """Setup the HeteronuclNOESoftware tag category. 
106   
107          @param sf:  The saveframe object. 
108          @type sf:   saveframe instance 
109          """ 
110   
111          # Initialise the baseclass. 
112          super(HeteronuclNOESoftware_v2_1, self).__init__(sf) 
113   
114          # Add the tag info. 
115          self['SoftwareLabel'].tag_name =       'Software_label' 
116   
117   
118 -class HeteronuclNOE_v2_1(HeteronuclNOE): 
119      """v2.1 HeteronuclNOE tag category.""" 
120   
121 -    def __init__(self, sf): 
122          """Setup the HeteronuclNOE_v2_1 tag category. 
123   
124          @param sf:  The saveframe object. 
125          @type sf:   saveframe instance 
126          """ 
127   
128          # Initialise the baseclass. 
129          super(HeteronuclNOE_v2_1, self).__init__(sf) 
130   
131          # Change tag names. 
132          self['CompIndexID1'].tag_name =         'Residue_seq_code' 
133          self['CompID1'].tag_name =              'Residue_label' 
134          self['Val'].tag_name =                  'Heteronuclear_NOE_value' 
135          self['ValErr'].tag_name =               'Heteronuclear_NOE_value_error' 
136