本文整理汇总了Python中data_store.Relax_data_store.abs_data方法的典型用法代码示例。如果您正苦于以下问题:Python Relax_data_store.abs_data方法的具体用法?Python Relax_data_store.abs_data怎么用?Python Relax_data_store.abs_data使用的例子?那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类data_store.Relax_data_store
的用法示例。
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示例1: RDCs
# 需要导入模块: from data_store import Relax_data_store [as 别名]
# 或者: from data_store.Relax_data_store import abs_data [as 别名]
"""Script for testing out the N-state model alignment tensor optimisation using pyrotarctic anhydride.
This is for testing both the optimisation of long range RDCs (2J and 3J) to pseudo-atoms and for testing the absolute T and absolute J data type.
"""
# Python module imports.
from os import sep
# relax imports.
from data_store import Relax_data_store; ds = Relax_data_store()
from status import Status; status = Status()
# Setup for stand-alone operation.
if not hasattr(ds, 'abs_data'):
ds.abs_data = 'mix'
# Path of the files.
str_path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'structures'
data_path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'align_data'+sep+'pyrotartaric_anhydride'
# Create the data pipe.
self._execute_uf(uf_name='pipe.create', pipe_name='pyrotartaric anhydride', pipe_type='N-state')
# Load the structure.
self._execute_uf(uf_name='structure.read_pdb', file='pyrotartaric_anhydride.pdb', dir=str_path)
# Set up the 13C and 1H spins information.
self._execute_uf(uf_name='structure.load_spins', spin_id='@C*', ave_pos=False)
self._execute_uf(uf_name='structure.load_spins', spin_id='@H*', ave_pos=False)