本文整理汇总了Python中zeobuilder.actions.composed.Parameters.num_hydrogens方法的典型用法代码示例。如果您正苦于以下问题：Python Parameters.num_hydrogens方法的具体用法？Python Parameters.num_hydrogens怎么用？Python Parameters.num_hydrogens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zeobuilder.actions.composed.Parameters的用法示例。
在下文中一共展示了Parameters.num_hydrogens方法的2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: fn
# 需要导入模块: from zeobuilder.actions.composed import Parameters [as 别名]
# 或者: from zeobuilder.actions.composed.Parameters import num_hydrogens [as 别名]
def fn():
context.application.model.file_open("test/input/tpa.xyz")
Atom = context.application.plugins.get_node("Atom")
for child in context.application.model.universe.children[::-1]:
if isinstance(child, Atom) and child.number == 1:
context.application.model.universe.children.remove(child)
context.application.main.select_nodes([context.application.model.universe])
AutoConnectPhysical = context.application.plugins.get_action("AutoConnectPhysical")
assert AutoConnectPhysical.analyze_selection()
AutoConnectPhysical()
parameters = Parameters()
parameters.num_hydrogens = 2
parameters.valence_angle = 1.9093
context.application.main.select_nodes([context.application.model.universe.children[1]])
SaturateHydrogensManual = context.application.plugins.get_action("SaturateHydrogensManual")
assert SaturateHydrogensManual.analyze_selection(parameters)
SaturateHydrogensManual(parameters)示例2: default_parameters
# 需要导入模块: from zeobuilder.actions.composed import Parameters [as 别名]
# 或者: from zeobuilder.actions.composed.Parameters import num_hydrogens [as 别名]
def default_parameters(cls):
result = Parameters()
result.num_hydrogens = 2
result.valence_angle = 109.4*deg
return result