本文整理汇总了Python中data_store.Relax_data_store.keys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.keys方法的具体用法?Python Relax_data_store.keys怎么用?Python Relax_data_store.keys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。
在下文中一共展示了Relax_data_store.keys方法的1个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: Relax_data_store
# 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 keys [as 别名]
"""Script for testing the loading of phthalic acid NOEs from a generically formatted file."""
# Python module imports.
from os import sep
# relax module imports.
from data_store import Relax_data_store; ds = Relax_data_store()
from status import Status; status = Status()
# Add a date pipe if one doesn't already exist.
if not ds.keys():
self._execute_uf(uf_name='pipe.create', pipe_name='test', pipe_type='N-state')
# NOE restraint file.
if not hasattr(ds, 'file_name'):
ds.file_name = 'phthalic_acid'
# Path of the relaxation data.
DATA_PATH = status.install_path + sep+'test_suite'+sep+'shared_data'+sep
# Pseudo-atoms.
PSEUDO = [
['Q7', ['@H16', '@H17', '@H18']],
['Q9', ['@H20', '@H21', '@H22']],
['Q10', ['@H23', '@H24', '@H25']]
]
# Read the structure.
self._execute_uf(uf_name='structure.read_pdb', file='gromacs.pdb', dir=DATA_PATH+sep+'structures'+sep+'phthalic_acid')