Trees | Indices | Help |
|
---|
|
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 base classes for the NMR-STAR dictionary support within relax. 24 25 The most up to date NMR-STAR dictionary relax uses is the v3.1 version documented at 26 http://www.bmrb.wisc.edu/dictionary/3.1html/SuperGroupPage.html. 27 """ 28 29 # relax module imports. 30 from bmrblib.assembly_supercategory.entity_v2_1 import EntitySaveframe_v2_1 31 from bmrblib.base_classes import MissingSaveframe 32 from bmrblib.citations.citations import CitationsSaveframe 33 from bmrblib.experimental_details.experiment import ExperimentSaveframe 34 from bmrblib.experimental_details.method import MethodSaveframe 35 from bmrblib.experimental_details.nmr_spectrometer import NMRSpectrometerSaveframe 36 from bmrblib.experimental_details.sample_conditions_v2_1 import SampleConditionsSaveframe_v2_1 37 from bmrblib.experimental_details.software import SoftwareSaveframe 38 from bmrblib.kinetics.relaxation import Relaxation_v2_1 39 from bmrblib.NMR_parameters.chem_shift_anisotropy import ChemShiftAnisotropySaveframe 40 from bmrblib.nmr_star_dict import NMR_STAR 41 from bmrblib.thermodynamics.model_free import ModelFreeSaveframe 42 from bmrblib.pystarlib.File import File 43 4446 """The v2.1 NMR-STAR dictionary.""" 477549 """Create all the saveframe objects.""" 50 51 # Initialise Supergroup 2: The citations. 52 self.citations = CitationsSaveframe(self.data.datanodes) 53 54 # Initialise Supergroup 3: The molecular assembly saveframe API. 55 self.entity = EntitySaveframe_v2_1(self.data.datanodes) 56 57 # Initialise Supergroup 4: The experimental descriptions saveframe API. 58 self.experiment = ExperimentSaveframe(self.data.datanodes) 59 self.method = MethodSaveframe(self.data.datanodes) 60 self.nmr_spectrometer = NMRSpectrometerSaveframe(self.data.datanodes) 61 self.sample_conditions = SampleConditionsSaveframe_v2_1(self.data.datanodes) 62 self.software = SoftwareSaveframe(self.data.datanodes) 63 64 # Initialise Supergroup 5: The NMR parameters saveframe API. 65 self.chem_shift_anisotropy = ChemShiftAnisotropySaveframe(self.data.datanodes) 66 67 # Initialise Supergroup 6: The kinetic data saveframe API. 68 self.relaxation = Relaxation_v2_1(self.data.datanodes) 69 70 # Initialise Supergroup 7: The thermodynamics saveframe API. 71 self.model_free = ModelFreeSaveframe(self.data.datanodes) 72 73 # Initialise Supergroup 8: The structure determination saveframes. 74 self.tensor = MissingSaveframe('Tensor')
Trees | Indices | Help |
|
---|
Generated by Epydoc 3.0.1 on Wed Apr 10 15:06:14 2013 | http://epydoc.sourceforge.net |