Dihedrals

class sknano.core.atoms.mixins.Dihedrals(*args, degrees=False, **kwargs)[source] [edit on github][source]

Bases: sknano.core.atoms.mixins.AngularTopologyCollection

Base class for collection of atom Dihedrals.

Parameters:
  • topolist ({None, sequence, Dihedrals}, optional) – if not None, then a list of Dihedral objects
  • parent (Parent Molecule, if any.) –
  • degrees (bool, optional) –

Attributes

Ndihedrals Number of Dihedrals in Dihedrals.
Ntypes Number of unique Topology.types.
angles ndarray of angles.
atom_ids list of atom_ids.
degrees bool setting for returning angles in degrees.
dihedrals ndarray of dihedrals.
fmtstr Format string.
ids list of ids.
mean An alias for TopologyCollection.mean_measure.
mean_angle Mean angle.
mean_dihedral Mean dihedral angle.
mean_measure Mean measure.
measures ndarray of measures.
parent Parent Molecule, if any.
statistics Dihedral stats.
strains ndarray of strains.
types list of types.
unique Return new TopologyCollection object containing the set of unique Topologys.

Methods

append(item)
clear()
compute_strains(reference) Return ndarray of topology measure strains.
copy()
count(item)
extend(other)
index(item, *args)
insert(i, item)
pop([i])
remove(item)
reverse()
sort([key, reverse])
todict() Return dict of constructor parameters.