VelocityAtom

class sknano.core.atoms.VelocityAtom(*args, vx=None, vy=None, vz=None, **kwargs)[source] [edit on github][source]

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)[source] [edit on github][source]

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)[source] [edit on github][source]

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()[source] [edit on github][source]

Return dict of constructor parameters.