mordred.Chi module

class mordred.Chi.Chi(type='path', order=0, prop='d', averaged=False)

Bases: mordred.Chi.ChiBase

chi descriptor.

Parameters:

• type (str) – one of chi_types
• prop (str or function) – atomic properties
• averaged (bool) – averaged by number of subgraphs

Returns:

NaN when

• any atomic properties <= 0
• averaged and \(N_{\chi} = 0\)

chi_types = ('path', 'cluster', 'path_cluster', 'chain')

rtype

alias of float

explicit_hydrogens = False

kekulize = False

require_3D = False

require_connected = False