本文整理匯總了Python中data_store.Relax_data_store.abs_data方法的典型用法代碼示例。如果您正苦於以下問題:Python Relax_data_store.abs_data方法的具體用法?Python Relax_data_store.abs_data怎麽用?Python Relax_data_store.abs_data使用的例子?那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類data_store.Relax_data_store
的用法示例。
在下文中一共展示了Relax_data_store.abs_data方法的1個代碼示例,這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚,您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: RDCs
# 需要導入模塊: from data_store import Relax_data_store [as 別名]
# 或者: from data_store.Relax_data_store import abs_data [as 別名]
"""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)