本文整理汇总了Python中connector.Connector.torsions方法的典型用法代码示例。如果您正苦于以下问题:Python Connector.torsions方法的具体用法?Python Connector.torsions怎么用?Python Connector.torsions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connector.Connector
的用法示例。
在下文中一共展示了Connector.torsions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: generate_connections
# 需要导入模块: from connector import Connector [as 别名]
# 或者: from connector.Connector import torsions [as 别名]
def generate_connections(self):
connect = Connector()
bond_types, angle_types, torsion_types, improper_types = self.molecule.connection_types()
self.bonds = self.molecule.assign_bonds(self.lattice_dimensions)
self.bond_labels = connect.bond_labels(self.atom_labels, self.bonds, bond_types)
self.angles = connect.angles(self.bonds)
self.angle_labels = connect.angle_labels(self.atom_labels, self.angles, angle_types)
self.torsions = connect.torsions(self.bonds)
self.torsion_labels = connect.torsion_labels(self.atom_labels, self.torsions, torsion_types)
self.impropers = connect.impropers(self.bonds)
self.improper_labels = connect.improper_labels(self.atom_labels, self.impropers, improper_types)