Source Code for Module bmrblib.kinetics.heteronucl_T1_relaxation_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.                                       # 
 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 v2.1 Heteronuclear T1 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_T1_relaxation import HeteronuclT1Saveframe, HeteronuclT1List, HeteronuclT1Experiment, HeteronuclT1Software, T1 
 30   
 31   
 32 -class HeteronuclT1Saveframe_v2_1(HeteronuclT1Saveframe): 
 33      """The v2.1 Heteronuclear T1 data saveframe class.""" 
 34   
 35      # Class variables. 
 36      name = 'T1' 
 37      label = 'heteronucl_T1' 
 38      sf_label = 'T1_relaxation' 
 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(HeteronuclT1List_v2_1(self)) 
 45          self.tag_categories.append(HeteronuclT1Experiment_v2_1(self)) 
 46          self.tag_categories.append(HeteronuclT1Software_v2_1(self)) 
 47          self.tag_categories.append(T1_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 R1 %s' % (self.frq, self.count) 
 55   
 56   
 57   
 58 -class HeteronuclT1List_v2_1(HeteronuclT1List): 
 59      """v2.1 HeteronuclT1List tag category.""" 
 60   
 61 -    def __init__(self, sf): 
 62          """Setup the HeteronuclT1List_v2_1 tag category. 
 63   
 64          @param sf:  The saveframe object. 
 65          @type sf:   saveframe instance 
 66          """ 
 67   
 68          # Initialise the baseclass. 
 69          super(HeteronuclT1List_v2_1, self).__init__(sf) 
 70   
 71          # Add the tag info. 
 72          self['Details'].tag_name =                  'Details' 
 73          self['SampleConditionListLabel'].tag_name = 'Sample_conditions_label' 
 74          self['SpectrometerFrequency1H'].tag_name =  'Spectrometer_frequency_1H' 
 75          self['T1CoherenceType'].tag_name =          'T1_coherence_type' 
 76          self['T1ValUnits'].tag_name =               'T1_value_units' 
 77          self['TextDataFormat'].tag_name =           'Text_data_format' 
 78          self['TextData'].tag_name =                 'Text_data' 
 79   
 80   
 81   
 82 -class HeteronuclT1Experiment_v2_1(HeteronuclT1Experiment): 
 83      """v2.1 HeteronuclT1Experiment tag category.""" 
 84   
 85 -    def __init__(self, sf): 
 86          """Setup the HeteronuclT1Experiment_v2_1 tag category. 
 87   
 88          @param sf:  The saveframe object. 
 89          @type sf:   saveframe instance 
 90          """ 
 91   
 92          # Initialise the baseclass. 
 93          super(HeteronuclT1Experiment_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 HeteronuclT1Software_v2_1(HeteronuclT1Software): 
102      """v2.1 HeteronuclT1Software tag category.""" 
103   
104 -    def __init__(self, sf): 
105          """Setup the HeteronuclT1Software tag category. 
106   
107          @param sf:  The saveframe object. 
108          @type sf:   saveframe instance 
109          """ 
110   
111          # Initialise the baseclass. 
112          super(HeteronuclT1Software_v2_1, self).__init__(sf) 
113   
114          # Add the tag info. 
115          self['SoftwareLabel'].tag_name =       'Software_label' 
116   
117   
118   
119 -class T1_v2_1(T1): 
120      """v2.1 T1 tag category.""" 
121   
122 -    def __init__(self, sf): 
123          """Setup the T1_v2_1 tag category. 
124   
125          @param sf:  The saveframe object. 
126          @type sf:   saveframe instance 
127          """ 
128   
129          # Initialise the baseclass. 
130          super(T1_v2_1, self).__init__(sf) 
131   
132          # Change tag names. 
133          self['CompIndexID'].tag_name =          'Residue_seq_code' 
134          self['CompID'].tag_name =               'Residue_label' 
135          self['AtomID'].tag_name =               'Atom_name' 
136          self['Val'].tag_name =                  'T1_value' 
137          self['ValErr'].tag_name =               'T1_value_error' 
138