當前位置: 首頁>>代碼示例>>Python>>正文


Python Relax_data_store.pipe_bundle_cluster方法代碼示例

本文整理匯總了Python中data_store.Relax_data_store.pipe_bundle_cluster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.pipe_bundle_cluster方法的具體用法?Python Relax_data_store.pipe_bundle_cluster怎麽用?Python Relax_data_store.pipe_bundle_cluster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data_store.Relax_data_store的用法示例。


在下文中一共展示了Relax_data_store.pipe_bundle_cluster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 pipe_bundle_cluster [as 別名]
# relax module imports.
from auto_analyses.relax_disp import Relax_disp
from data_store import Relax_data_store; ds = Relax_data_store()
from lib.dispersion.variables import MODEL_NOREX_R1RHO_FIT_R1, MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_MP05_FIT_R1
from pipe_control.mol_res_spin import spin_loop

#########################################
#### Setup
# The pipe names.
if not (hasattr(ds, 'pipe_name') and hasattr(ds, 'pipe_bundle') and hasattr(ds, 'pipe_type') and hasattr(ds, 'pipe_bundle_cluster')):
    # Set pipe name, bundle and type.
    ds.pipe_name = 'base pipe'
    ds.pipe_bundle = 'relax_disp'
    ds.pipe_type = 'relax_disp'
    ds.pipe_bundle_cluster = 'cluster'

# The data path
if not hasattr(ds, 'data_path'):
    ds.data_path = getcwd()

# The models to analyse.
if not hasattr(ds, 'models'):
    if 0:
        ds.models = [MODEL_NOREX_R1RHO_FIT_R1, MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_MP05_FIT_R1]
    else:
        ds.models = [MODEL_DPL94_FIT_R1]

# The number of increments per parameter, to split up the search interval in grid search.
# This is not used, when pointing to a previous result directory.
# Then an average of the previous values will be used.
開發者ID:pombredanne,項目名稱:relax,代碼行數:32,代碼來源:5_clustered_analyses.py


注:本文中的data_store.Relax_data_store.pipe_bundle_cluster方法示例由純淨天空整理自Github/MSDocs等開源代碼及文檔管理平台,相關代碼片段篩選自各路編程大神貢獻的開源項目,源碼版權歸原作者所有,傳播和使用請參考對應項目的License;未經允許,請勿轉載。