本文整理匯總了Python中ParmedTools.ParmedActions.changeljsingletype方法的典型用法代碼示例。如果您正苦於以下問題：Python ParmedActions.changeljsingletype方法的具體用法？Python ParmedActions.changeljsingletype怎麽用？Python ParmedActions.changeljsingletype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.changeljsingletype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: changeljsingletype
# 需要導入模塊: from ParmedTools import ParmedActions [as 別名]
# 或者: from ParmedTools.ParmedActions import changeljsingletype [as 別名]
def changeljsingletype(root, amber_prmtop, messages):
""" Changes radius/well depth of a single LJ type given by the mask """
# We need a mask, radius, and well depth
widget_list = [('MaskEntry', 'Mask to change LJ Type'),
('Entry', 'New LJ Radius'), ('Entry', 'New LJ Depth')]
var_list = [StringVar(), StringVar(), StringVar()]
description = "Change a given atom type's LJ radius and well depth"
# Create the window, open it, then wait for it to close
cmd_window = _guiwidgets.ActionWindow('changeLJSingleType', amber_prmtop,
widget_list, var_list, description)
cmd_window.wait_window()
# See if we got any variables back
vars_found = True in [bool(v.get()) for v in var_list]
if not vars_found: return
# addljtype expects any _non_specified variables to be None
var_list = [v.get() for v in var_list]
for i, v in enumerate(var_list):
if not v: var_list[i] = None
# If we did, store them and pass it to the class
try:
action = ParmedActions.changeljsingletype(amber_prmtop,
ArgumentList(var_list))
except Exception, err:
showerror('Unexpected Error!', '%s: %s' % (type(err).__name__, err))
return