sknano.core.atoms.Atoms

class sknano.core.atoms.Atoms(atoms=None, casttype=True, **kwargs)

Base class for collection of Atom objects.

Parameters:

atoms : {None, sequence, Atoms}, optional

if not None, then a list of Atom instance objects or an existing Atoms instance object.

Attributes

M	Total mass of Atoms.
Natoms	Number of atoms in Atoms.
elements	ndarray of Atom.elements in Atoms.
fmtstr
masses	ndarray of Atom.masss in Atoms.
symbols	ndarray of Atom.symbols in Atoms.

Methods

append(atom)
clear()
copy()
count(item)
extend(other)
filter(condition[, invert])	Filter Atoms by condition.
filtered(condition[, invert])	Return new list of Atoms filtered by condition.
get_atoms([asarray])	Return list of Atoms.
getatomattr(attr)	Get ndarray of atom attributes attr.
index(item, *args)
insert(i, item)
mapatomattr([from_attr, to_attr, attrmap])	Set/update atom attribute from another atom attribute with dict.
pop([i])
remove(item)
reverse()
rezero([epsilon])	Set values with absolute value less than epsilon to zero.
rotate(**kwargs)	Rotate Atom vectors.
sort([key, reverse])
todict()
translate(t[, fix_anchor_points])	Translate Atom vectors by Vector t.