本文整理匯總了Python中ParmedTools.ParmedActions.combinemolecules方法的典型用法代碼示例。如果您正苦於以下問題：Python ParmedActions.combinemolecules方法的具體用法？Python ParmedActions.combinemolecules怎麽用？Python ParmedActions.combinemolecules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ParmedTools.ParmedActions的用法示例。
在下文中一共展示了ParmedActions.combinemolecules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: combinemolecules
# 需要導入模塊: from ParmedTools import ParmedActions [as 別名]
# 或者: from ParmedTools.ParmedActions import combinemolecules [as 別名]
def combinemolecules(root, amber_prmtop, messages):
""" Combines 2 molecules into a single molecule """
# We need a molecule #
widget_list = [('Entry', 'Molecule Number')]
var_list = [StringVar()]
description = 'Combine the given molecule number with the next molecule'
cmd_window = _guiwidgets.ActionWindow('combineMolecules', amber_prmtop,
widget_list, var_list, description)
cmd_window.wait_window()
# See if we got any variables back
var = var_list[0].get()
if not var: return
# addljtype expects any _non_specified variables to be None
try:
action = ParmedActions.combinemolecules(amber_prmtop, ArgumentList(var))
messages.write('%s\n' % action)
action.execute()
except Exception, err:
showerror('Unexpected Error!', '%s: %s' % (type(err).__name__, err))
return