mordred.AtomCount module¶

class mordred.AtomCount.AtomCount(type='Atom')[source]¶

Bases: mordred._base.descriptor.Descriptor

atom count descriptor.

Parameters:

type (str) –

type to count.

‘Atom’
‘HeavyAtom’
‘Spiro’
‘Bridgehead’
‘X’ - all halogen
element symbol

explicit_hydrogens¶: require explicit_hydrogens when type is ‘H’ or ‘Atom’.

rtype¶: alias of int

kekulize = False¶

require_3D = False¶

require_connected = False¶