Source Code for Module bmrblib.experimental_details.experiment

  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 model_free saveframe category (used to be called order_parameters). 
 24   
 25  This file is part of the U{BMRB library<https://sourceforge.net/projects/bmrblib>}. 
 26   
 27  For example, see http://www.bmrb.wisc.edu/dictionary/3.1html_frame/frame_SaveFramePage.html#order_parameters 
 28  """ 
 29   
 30  # relax module imports. 
 31  from bmrblib.base_classes import BaseSaveframe, TagCategory, TagCategoryFree 
 32   
 33   
 34 -class ExperimentSaveframe(BaseSaveframe): 
 35      """The Order parameters saveframe class.""" 
 36   
 37      # Class variables. 
 38      sf_label = 'experiment_list' 
 39   
 40 -    def add_tag_categories(self): 
 41          """Create the v3.1 tag categories.""" 
 42   
 43          # The tag category objects. 
 44          self.tag_categories.append(ExperimentList(self)) 
 45          self.tag_categories.append(Experiment(self)) 
 46   
 47   
 48 -class ExperimentList(TagCategoryFree): 
 49      """Base class for the ExperimentList tag category.""" 
 50   
 51 -    def __init__(self, sf): 
 52          """Setup the ExperimentList tag category. 
 53   
 54          @param sf:  The saveframe object. 
 55          @type sf:   saveframe instance 
 56          """ 
 57   
 58          # Initialise the baseclass. 
 59          super(ExperimentList, self).__init__(sf) 
 60   
 61          # Add the tag info. 
 62          self.add(key='ExperimentListID',    tag_name='ID',      var_name='count_str',   format='int') 
 63          self.add(key='Details',             tag_name='Details', var_name='details',     format='str') 
 64   
 65   
 66   
 67 -class Experiment(TagCategory): 
 68      """Base class for the Experiment tag category.""" 
 69   
 70 -    def __init__(self, sf): 
 71          """Setup the Experiment tag category. 
 72   
 73          @param sf:  The saveframe object. 
 74          @type sf:   saveframe instance 
 75          """ 
 76   
 77          # Initialise the baseclass. 
 78          super(Experiment, self).__init__(sf) 
 79   
 80          # Add the tag info. 
 81          self.add(key='ExperimentID',                tag_name='ID',                              var_name='data_ids',            format='int') 
 82          self.add(key='Name',                        tag_name='Name',                            var_name='name',        format='str') 
 83          self.add(key='RawDataFlag',                 tag_name='Raw_data_flag',                   var_name='data_flag',             format='str', default='yes') 
 84          self.add(key='NMRSpecExptID',               tag_name='NMR_spec_expt_ID',                var_name='nmr_spec_expt_id',             format='int') 
 85          self.add(key='NMRSpecExptLabel',            tag_name='NMR_spec_expt_label',             var_name='nmr_spec_expt_label',             format='str') 
 86          self.add(key='SampleID',                    tag_name='Sample_ID',                       var_name='sample_id',             format='int', default=1) 
 87          self.add(key='SampleLabel',                 tag_name='Sample_label',                    var_name='sample_label',             format='str', default='$sample_1') 
 88          self.add(key='SampleState',                 tag_name='Sample_state',                    var_name='sample_state',             format='str') 
 89          self.add(key='SampleVolume',                tag_name='Sample_volume',                   var_name='sample_volume',             format='float') 
 90          self.add(key='SampleVolumeUnits',           tag_name='Sample_volume_units',             var_name='sample_volume_units',             format='str') 
 91          self.add(key='SampleConditionListID',       tag_name='Sample_condition_list_ID',        var_name='sample_cond_list_id',             format='int', default=1) 
 92          self.add(key='SampleConditionListLabel',    tag_name='Sample_condition_list_label',     var_name='sample_cond_list_label',             format='str', default='$conditions_1') 
 93          self.add(key='Sample_spinning_rate ',       tag_name='SampleSpinningRate',              var_name='sample_spin_rate',             format='float') 
 94          self.add(key='SampleAngle',                 tag_name='Sample_angle',                    var_name='sample_angle',             format='float') 
 95          self.add(key='NMRTubeType',                 tag_name='NMR_tube_type',                   var_name='nmr_tube_type',             format='str') 
 96          self.add(key='NMRSpectrometerID',           tag_name='NMR_spectrometer_ID',             var_name='spectrometer_ids',             format='int') 
 97          self.add(key='NMRSpectrometerLabel',        tag_name='NMR_spectrometer_label',          var_name='spectrometer_labels',             format='str') 
 98          self.add(key='NMRSpectrometerProbeID',      tag_name='NMR_spectrometer_probe_ID',       var_name='NMR_spectrometer_probe_ID',             format='int') 
 99          self.add(key='NMRSpectrometerProbeLabel',   tag_name='NMR_spectrometer_probe_label',    var_name='NMR_spectrometer_probe_label',             format='str') 
100          self.add(key='NMRSpectralProcessingID',     tag_name='NMR_spectral_processing_ID',      var_name='NMR_spectral_processing_ID',             format='int') 
101          self.add(key='NMRSpectralProcessingLabel',  tag_name='NMR_spectral_processing_label',   var_name='NMR_spectral_processing_label',             format='str') 
102          self.add(key='ExperimentListID',            tag_name='Experiment_list_ID',              var_name='count_str', format='int') 
103