本文整理匯總了Python中data_store.Relax_data_store.keys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.keys方法的具體用法?Python Relax_data_store.keys怎麽用?Python Relax_data_store.keys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.keys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: Relax_data_store
# 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 keys [as 別名]
"""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')