sknano.core.atoms.XYZAtoms.filtered

XYZAtoms.filtered(condition, invert=False)

Return new list of Atoms filtered by condition.

New in version 0.3.11.

Parameters:

condition : array_like, bool

Boolean index array having same shape as the initial dimensions of the list of Atoms being indexed.

invert : bool, optional

If True, the boolean array condition is inverted element-wise.

Returns:

filtered_atoms : Atoms

If invert is False, return the elements where condition is True.

If invert is True, return the elements where condition (i.e., numpy.invert(condition)) is True.

Examples

An example using the structure data of a 10 nm (10, 0) SWCNT:

>>> from sknano.generators import SWNTGenerator
>>> swnt = SWNTGenerator(10, 0, Lz=10, fix_Lz=True).atoms
>>> # select 'left', 'middle', 'right' atoms
>>> latoms = swnt.filtered(swnt.z <= 25)
>>> matoms = swnt.filtered((swnt.z < 75) & (swnt.z > 25))
>>> ratoms = swnt.filtered(swnt.z >= 75)
>>> from pprint import pprint
>>> pprint([getattr(atoms, 'bounds') for atoms in
...         (latoms, matoms, ratoms)])
[Cuboid(pmin=Point([-3.914435, -3.914435, 0.0]),                 pmax=Point([3.914435, 3.914435, 24.85])),
 Cuboid(pmin=Point([-3.914435, -3.914435, 25.56]),                 pmax=Point([3.914435, 3.914435, 74.55])),
 Cuboid(pmin=Point([-3.914435, -3.914435, 75.97]),                 pmax=Point([3.914435, 3.914435, 100.11]))]
>>> latoms.Natoms + matoms.Natoms + ratoms.Natoms == swnt.Natoms
True