本文整理汇总了Python中simphony.cuds.primitive_cell.PrimitiveCell.for_face_centered_orthorhombic_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_face_centered_orthorhombic_lattice方法的具体用法？Python PrimitiveCell.for_face_centered_orthorhombic_lattice怎么用？Python PrimitiveCell.for_face_centered_orthorhombic_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_face_centered_orthorhombic_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_face_centered_orthorhombic_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_face_centered_orthorhombic_lattice [as 别名]
def test_primitive_cell_for_face_centered_orthorhombic_lattice(self):
with self.assertRaises(ValueError):
PrimitiveCell.for_face_centered_orthorhombic_lattice(-1, -2, -3)
pc = PrimitiveCell.for_face_centered_orthorhombic_lattice(
self.a, self.b, self.c)
self.assertIsInstance(pc, PrimitiveCell)
self.assertEqual(pc.bravais_lattice,
BravaisLattice.FACE_CENTERED_ORTHORHOMBIC)
assert_array_equal(pc.p1, (0, self.b/2, self.c/2))
assert_array_equal(pc.p2, (self.a/2, 0, self.c/2))
assert_array_equal(pc.p3, (self.a/2, self.b/2, 0))示例2: make_face_centered_orthorhombic_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_face_centered_orthorhombic_lattice [as 别名]
def make_face_centered_orthorhombic_lattice(name, hs, size,
origin=(0, 0, 0)):
"""Create and return a 3D face-centered orthorhombic lattice.
Parameters
----------
name : str
hs : float[3]
lattice spacings in each axis direction
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_face_centered_orthorhombic_lattice(
hs[0], hs[1], hs[2])
return Lattice(name, pc, size, origin)