AddMolecularOrientation adds molecular orientation (order parameter) to an Element object. More...

#include <add_molecular_orientation.h>

Inheritance diagram for AddMolecularOrientation:

Collaboration diagram for AddMolecularOrientation:

Protected Member Functions
virtual void	compute_impl (Json &data, JsonToVoidFunc check_required_keys, JsonToBoolFunc check_optional_keys) override
	This method overrides Updater::compute_impl. More...

Protected Member Functions inherited from Adder
virtual void	compute_body (const ElPtr &elem, Json &data) override
	Compute properties and add them to Element::data given as a mutable reference. More...

Protected Member Functions inherited from Updater
virtual void	compute_common (const ElPtr &elem, Json &data)
	Common part of compute_body. More...

Additional Inherited Members
Public Member Functions inherited from Adder
	Updater ()=default
	Constructor of Updater class. More...

Public Member Functions inherited from Updater
	Updater ()=default
	Constructor of Updater class. More...

void	compute (const ElPtr &elem, const int elementid, Json &data)
	Managing computation to update Element::data. More...

void	remove_from_skippable_elementids (const int elementid)
	Remove Element::elementid from skippable_elementids. More...

const ShPtr< Generator > &	get_ext_generator ()
	Get ext_generator of this object. More...

Protected Attributes inherited from Updater
ShPtr< Generator >	ext_generator

Detailed Description

AddMolecularOrientation adds molecular orientation (order parameter) to an Element object.

This class computes orientation (a.k.a. order parameter) of an Element object (such as one containing data for molecules) from its inertia moment. To compute the orientation, a direction of eigenvector corresponding the minimum eigenvalue of the inertia moment (that is, long axis of the molecule) is used for each molecule.

About usage in Python, please see pybind::py_add_molecular_orientation.

Definition at line 28 of file add_molecular_orientation.h.