Processing math: 100%

sknano.core.atoms.ForceAtoms

class sknano.core.atoms.ForceAtoms(atoms=None, casttype=True, **kwargs)[source][source]

An Atoms sub-class for ForceAtoms.

Sub-class of Atoms class, and a container class for lists of ForceAtom instances.

Parameters:

atoms : {None, sequence, ForceAtoms}, optional

if not None, then a list of ForceAtom instance objects or an existing ForceAtoms instance object.

Attributes

M Total mass of Atoms.
Natoms Number of atoms in Atoms.
elements ndarray of Atom.elements in Atoms.
f Alias for forces.
fmtstr
forces ndarray of ForceAtom forces.
fx ndarray of Atoms fx components.
fy ndarray of Atoms fy components.
fz ndarray of Atoms fz components.
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.