Select Atoms from Basis

DESCRIPTION:

Select the atoms which are associated with the biggest coefficients from an orthogonal basis (a cpt or wpt object).

USAGE:

top.atoms(basis, n.atom=50) 

REQUIRED ARGUMENTS:

basis
an object which inherits from cpt or wpt.

OPTIONAL ARGUMENTS:

n.atom
number of top atoms to be selected, the default is n.atom=50.

VALUE:

an object of class cp.molecule or wp.molecule inheriting from the class molecule. See molecule.object for details.

DETAILS:

The top atoms are selected based on energy.

BUGS:

This function does not work for non-decimated wavelet transforms.

SEE ALSO:

, , .