VelocityAtom

class sknano.core.atoms.velocity_atoms.VelocityAtom(*args, vx=None, vy=None, vz=None, **kwargs)

Bases: sknano.core.atoms.atoms.Atom

An Atom sub-class with velocity component attributes.

Parameters:

• element ({str, int}, optional) – A string representation of the element symbol or an integer specifying an element atomic number.
• vy, vz (vx,) – \(v_x, v_y, v_z\) components of VelocityAtom velocity.

Attributes

Z	Atomic number \(Z\).
element	Element symbol.
fmtstr	Format string.
m	An alias for mass.
mass	Atomic mass \(m_a\) in atomic mass units.
symbol	Element symbol.
v	\(v_x, v_y, v_z\) array of velocity components.
vx	\(x\) component of VelocityAtom velocity vector
vy	\(x\) component of VelocityAtom velocity vector
vz	\(z\) component of VelocityAtom velocity vector

Methods

getattr(attr[, default, recursive])	Get atom attribute named attr.
reset_attrs(**kwargs)	Reset atom attributes.
rezero([epsilon])	Re-zero velocity vector components.
rotate(**kwargs)	Rotate Atom velocity vector.
todict()	Return dict of constructor parameters.
update_attrs(**kwargs)	Update atom attributes.

Attributes Summary

v	\(v_x, v_y, v_z\) array of velocity components.
vx	\(x\) component of VelocityAtom velocity vector
vy	\(x\) component of VelocityAtom velocity vector
vz	\(z\) component of VelocityAtom velocity vector

Methods Summary

rezero([epsilon])	Re-zero velocity vector components.
rotate(**kwargs)	Rotate Atom velocity vector.
todict()	Return dict of constructor parameters.

Attributes Documentation

v

\(v_x, v_y, v_z\) array of velocity components.

Returns:3-element ndarray of [\(v_x\), \(v_y\), \(v_z\)] velocity components of VelocityAtom. Return type:ndarray

vx

\(x\) component of VelocityAtom velocity vector

vy

\(x\) component of VelocityAtom velocity vector

vz

\(z\) component of VelocityAtom velocity vector

Methods Documentation

rezero(epsilon=1e-10)

Re-zero velocity vector components.

Set velocity vector components with absolute value less than epsilon to zero.

Parameters:epsilon (float) – smallest allowed absolute value of any \(x,y,z\) component.

rotate(**kwargs)

Rotate Atom velocity vector.

Parameters:

• angle (float) –
• axis (Vector, optional) –
• anchor_point (Point, optional) –
• rot_point (Point, optional) –
• to_vector (from_vector,) –
• degrees (bool, optional) –
• transform_matrix (ndarray) –

todict()

Return dict of constructor parameters.