本文整理汇总了Python中ParmedTools.ParmedActions.changeljsingletype方法的典型用法代码示例。如果您正苦于以下问题：Python ParmedActions.changeljsingletype方法的具体用法？Python ParmedActions.changeljsingletype怎么用？Python ParmedActions.changeljsingletype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ParmedTools.ParmedActions的用法示例。
在下文中一共展示了ParmedActions.changeljsingletype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: changeljsingletype
# 需要导入模块: from ParmedTools import ParmedActions [as 别名]
# 或者: from ParmedTools.ParmedActions import changeljsingletype [as 别名]
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