Source Code for Module bmrblib.nmr_star_dict_v3_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 NMR-STAR dictionary API for version 3.1. 
24   
25  This file is part of the U{BMRB library<https://gna.org/projects/bmrblib>}. 
26   
27  The v3.1 NMR-STAR dictionary is documented at U{http://www.bmrb.wisc.edu/dictionary/}. 
28  """ 
29   
30  # relax module imports. 
31  from bmrblib.assembly_supercategory.entity_v3_1 import EntitySaveframe_v3_1 
32  from bmrblib.citations.citations_v3_1 import CitationsSaveframe_v3_1 
33  from bmrblib.experimental_details.experiment_v3_1 import ExperimentSaveframe_v3_1 
34  from bmrblib.experimental_details.method_v3_1 import MethodSaveframe_v3_1 
35  from bmrblib.experimental_details.nmr_spectrometer_v3_1 import NMRSpectrometerSaveframe_v3_1 
36  from bmrblib.experimental_details.sample_conditions_v3_1 import SampleConditionsSaveframe_v3_1 
37  from bmrblib.experimental_details.software_v3_1 import SoftwareSaveframe_v3_1 
38  from bmrblib.kinetics.relaxation import Relaxation_v3_1 
39  from bmrblib.NMR_parameters.chem_shift_anisotropy_v3_1 import ChemShiftAnisotropySaveframe_v3_1 
40  from bmrblib.structure.tensor import TensorSaveframe 
41  from bmrblib.thermodynamics.model_free_v3_1 import ModelFreeSaveframe_v3_1 
42  from bmrblib.nmr_star_dict import NMR_STAR 
43   
44   
45 -class NMR_STAR_v3_1(NMR_STAR): 
46      """The v3.1 NMR-STAR dictionary.""" 
47   
48 -    def create_saveframes(self): 
49          """Create all the saveframe objects.""" 
50   
51          # Initialise Supergroup 2:  The citations. 
52          self.citations = CitationsSaveframe_v3_1(self.data.datanodes) 
53   
54          # Initialise Supergroup 3:  The molecular assembly saveframe API. 
55          self.entity = EntitySaveframe_v3_1(self.data.datanodes) 
56   
57          # Initialise Supergroup 4:  The experimental descriptions saveframe API. 
58          self.experiment = ExperimentSaveframe_v3_1(self.data.datanodes) 
59          self.method = MethodSaveframe_v3_1(self.data.datanodes) 
60          self.nmr_spectrometer = NMRSpectrometerSaveframe_v3_1(self.data.datanodes) 
61          self.sample_conditions = SampleConditionsSaveframe_v3_1(self.data.datanodes) 
62          self.software = SoftwareSaveframe_v3_1(self.data.datanodes) 
63   
64          # Initialise Supergroup 5:  The NMR parameters saveframe API. 
65          self.chem_shift_anisotropy = ChemShiftAnisotropySaveframe_v3_1(self.data.datanodes) 
66   
67          # Initialise Supergroup 6:  The kinetic data saveframe API. 
68          self.relaxation = Relaxation_v3_1(self.data.datanodes) 
69   
70          # Initialise Supergroup 7:  The thermodynamics saveframe API. 
71          self.model_free = ModelFreeSaveframe_v3_1(self.data.datanodes) 
72   
73          # Initialise Supergroup 8:  The structure determination saveframes. 
74          self.tensor = TensorSaveframe(self.data.datanodes) 
75