meld.system.mapping.PeakMapper

class meld.system.mapping.PeakMapper(name, n_peaks, atom_names)[source]

Bases: object

__init__(name, n_peaks, atom_names)[source]

Methods

__init__(name, n_peaks, atom_names)

add_atom_group(**kwargs)

extract_value(mapping, state)

rtype

Union[int, NotMapped]

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

atom_names

atom_groups