Source Code for Module bmrblib.nmr_star_dict_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.                                       # 
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 base classes for the NMR-STAR dictionary support within relax. 
24   
25  This file is part of the U{BMRB library<https://gna.org/projects/bmrblib>}. 
26  """ 
27   
28  # relax module imports. 
29  from bmrblib.assembly_supercategory.entity_v2_1 import EntitySaveframe_v2_1 
30  from bmrblib.base_classes import MissingSaveframe 
31  from bmrblib.citations.citations import CitationsSaveframe 
32  from bmrblib.experimental_details.experiment import ExperimentSaveframe 
33  from bmrblib.experimental_details.method import MethodSaveframe 
34  from bmrblib.experimental_details.nmr_spectrometer import NMRSpectrometerSaveframe 
35  from bmrblib.experimental_details.sample_conditions_v2_1 import SampleConditionsSaveframe_v2_1 
36  from bmrblib.experimental_details.software import SoftwareSaveframe 
37  from bmrblib.kinetics.relaxation import Relaxation_v2_1 
38  from bmrblib.NMR_parameters.chem_shift_anisotropy import ChemShiftAnisotropySaveframe 
39  from bmrblib.nmr_star_dict import NMR_STAR 
40  from bmrblib.thermodynamics.model_free import ModelFreeSaveframe 
41  from bmrblib.pystarlib.File import File 
42   
43   
44 -class NMR_STAR_v2_1(NMR_STAR): 
45      """The v2.1 NMR-STAR dictionary.""" 
46   
47 -    def create_saveframes(self): 
48          """Create all the saveframe objects.""" 
49   
50          # Initialise Supergroup 2:  The citations. 
51          self.citations = CitationsSaveframe(self.data.datanodes) 
52   
53          # Initialise Supergroup 3:  The molecular assembly saveframe API. 
54          self.entity = EntitySaveframe_v2_1(self.data.datanodes) 
55   
56          # Initialise Supergroup 4:  The experimental descriptions saveframe API. 
57          self.experiment = ExperimentSaveframe(self.data.datanodes) 
58          self.method = MethodSaveframe(self.data.datanodes) 
59          self.nmr_spectrometer = NMRSpectrometerSaveframe(self.data.datanodes) 
60          self.sample_conditions = SampleConditionsSaveframe_v2_1(self.data.datanodes) 
61          self.software = SoftwareSaveframe(self.data.datanodes) 
62   
63          # Initialise Supergroup 5:  The NMR parameters saveframe API. 
64          self.chem_shift_anisotropy = ChemShiftAnisotropySaveframe(self.data.datanodes) 
65   
66          # Initialise Supergroup 6:  The kinetic data saveframe API. 
67          self.relaxation = Relaxation_v2_1(self.data.datanodes) 
68   
69          # Initialise Supergroup 7:  The thermodynamics saveframe API. 
70          self.model_free = ModelFreeSaveframe(self.data.datanodes) 
71   
72          # Initialise Supergroup 8:  The structure determination saveframes. 
73          self.tensor = MissingSaveframe('Tensor') 
74