本文整理汇总了Python中ParmedTools.ParmedActions.change方法的典型用法代码示例。如果您正苦于以下问题：Python ParmedActions.change方法的具体用法？Python ParmedActions.change怎么用？Python ParmedActions.change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.change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: change
# 需要导入模块: from ParmedTools import ParmedActions [as 别名]
# 或者: from ParmedTools.ParmedActions import change [as 别名]
def change(root, amber_prmtop, messages):
""" Allows us to change a specific atomic property """
# The spinbox is sent with the Spinbox, label, and then a list of all of the
# values to give to it
widget_list = [('Spinbox', 'Property to change', 'CHARGE', 'MASS',
'RADII', 'SCREEN', 'ATOM_NAME', 'AMBER_ATOM_TYPE',
'ATOM_TYPE_INDEX', 'ATOMIC_NUMBER'),
('MaskEntry', 'Atoms to change'),
('Entry', 'New Value for Property')]
# We need 3 string variables, then get the description
var_list = [StringVar(), StringVar(), StringVar()]
description = 'Changes the property of given atoms to a new value'
# Create the window, open it, then wait for it to close
cmd_window = _guiwidgets.ActionWindow('change', 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
# If we did, store them and pass it to the class
var_list = [v.get() for v in var_list]
try:
action = ParmedActions.change(amber_prmtop, ArgumentList(var_list))
except Exception, err:
showerror('Unexpected Error!', '%s: %s' % (type(err).__name__, err))
return