def filter(self, condition, invert=False):
"""Filter `Atoms` by `condition`.
.. versionchanged:: 0.3.11
Filters the list of `Atoms` **in-place**. Use
:meth:`~Atoms.filtered` to generate a new filtered list
of `Atoms`.
Parameters
----------
condition : :class:`~python:str` or boolean array
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.
"""
if isinstance(condition, str):
condition = convert_condition_str(self, condition)
if invert:
condition = ~condition
try:
self.data = np.asarray(self)[condition].tolist()
except AttributeError:
self.data = np.asarray(self)[condition]
def filtered(self, condition, invert=False):
"""Return new list of `Atoms` filtered by `condition`.
.. versionadded:: 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
"""
if isinstance(condition, str):
condition = convert_condition_str(self, condition)
if invert:
condition = ~condition
try:
return self.__class__(atoms=np.asarray(self)[condition].tolist(),
**self.kwargs)
except AttributeError:
return self.__class__(atoms=np.asarray(self)[condition],
**self.kwargs)
