Dihedrals

class sknano.core.atoms.mixins.Dihedrals(*args, degrees=False, **kwargs)

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.