def assign_unique_types(self, from_attr='element'):
"""Assign unique :attr:`TypeAtom.type`\s to each `TypeAtom` in \
`TypeAtoms` from an existing unique atom attribute.
.. versionchanged:: 0.3.11
Now accepts a keyword argument `from_attr`.
The assignment of unique :attr:`TypeAtom.type`\s is performed
by mapping an existing atom attribute (default: element)
to a unique integer, starting at 1.
Parameters
----------
from_attr : :class:`~python:str`
An existing atom attribute used to generate an attribute
mapping that maps the attribute to a unique atom
:attr:`~TypeAtom.type`.
"""
attrlist = [getattr(atom, from_attr) for atom in self]
attrmap = \
{attr: i for i, attr in enumerate(dedupe(attrlist), start=1)}
self.mapatomattr(from_attr, 'type', attrmap)
def atoms(self):
"""`Atoms` :class:`python:set` in `Bonds`."""
atoms = []
[atoms.extend(bond.atoms) for bond in self]
atoms = dedupe(atoms, key=attrgetter('id'))
return sknano.core.atoms.StructureAtoms(list(atoms))
def atoms(self):
"""`Atoms` :class:`python:set` in `Bonds`."""
atoms = []
[atoms.extend(bond.atoms) for bond in self]
atoms = dedupe(atoms, key=attrgetter('id'))
return sknano.core.atoms.StructureAtoms(list(atoms))
def test1():
lst = [1, 2, 2, 3, 4, 50, 50, 4, 5]
assert_equal(list(dedupe(lst)), [1, 2, 3, 4, 50, 5])