meld.system.mapping.PeakMapper

class meld.system.mapping.PeakMapper(name, n_peaks, n_active, atom_names)

Bases: object

__init__(name, n_peaks, n_active, atom_names)

Methods

__init__(name, n_peaks, n_active, atom_names)
add_atom_group(**kwargs)
get_initial_state()	rtype ndarray
get_mapping(peak_id, atom_name)	rtype PeakMapping
sample(state)	rtype ndarray

Attributes

n_atom_groups	rtype int
name
n_peaks
n_active
atom_names
atom_groups