本文整理汇总了Python中simphony.cuds.primitive_cell.PrimitiveCell.for_monoclinic_lattice方法的典型用法代码示例。如果您正苦于以下问题：Python PrimitiveCell.for_monoclinic_lattice方法的具体用法？Python PrimitiveCell.for_monoclinic_lattice怎么用？Python PrimitiveCell.for_monoclinic_lattice使用的例子？那么, 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simphony.cuds.primitive_cell.PrimitiveCell的用法示例。
在下文中一共展示了PrimitiveCell.for_monoclinic_lattice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: test_primitive_cell_for_monoclinic_lattice
# 需要导入模块: from simphony.cuds.primitive_cell import PrimitiveCell [as 别名]
# 或者: from simphony.cuds.primitive_cell.PrimitiveCell import for_monoclinic_lattice [as 别名]
def test_primitive_cell_for_monoclinic_lattice(self):
with self.assertRaises(ValueError):
PrimitiveCell.for_monoclinic_lattice(-1, -2, -3, np.pi/4)
with self.assertRaises(ValueError):
PrimitiveCell.for_monoclinic_lattice(1, 2, 3, np.pi)
pc = PrimitiveCell.for_monoclinic_lattice(
self.a, self.b, self.c, self.beta)
self.assertIsInstance(pc, PrimitiveCell)
self.assertEqual(pc.bravais_lattice,
BravaisLattice.MONOCLINIC)
assert_array_equal(pc.p1,
(self.a*np.sin(self.beta), 0,
self.a*np.cos(self.beta)))
assert_array_equal(pc.p2, (0, self.b, 0))
assert_array_equal(pc.p3, (0, 0, self.c))示例2: make_monoclinic_lattice
# 需要导入模块: from simphony.cuds.primitive_cell import PrimitiveCell [as 别名]
# 或者: from simphony.cuds.primitive_cell.PrimitiveCell import for_monoclinic_lattice [as 别名]
def make_monoclinic_lattice(name, hs, beta, size, origin=(0, 0, 0)):
"""Create and return a 3D monoclinic lattice.
Parameters
----------
name : str
hs : float[3]
lattice spacings in each axis direction
beta: float
angle between the (conventional) unit cell edges (in radians),
size : int[3]
Number of lattice nodes in each axis direction.
origin : float[3], default value = (0, 0, 0)
lattice origin
Returns
-------
lattice : Lattice
A reference to a Lattice object.
"""
pc = PrimitiveCell.for_monoclinic_lattice(hs[0], hs[1], hs[2], beta)
return Lattice(name, pc, size, origin)