votca::csg::OpenBox Class Reference

#include <openbox.h>

Inheritance diagram for votca::csg::OpenBox:

Collaboration diagram for votca::csg::OpenBox:

Public Member Functions
Eigen::Vector3d	BCShortestConnection (const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const final
virtual std::unique_ptr< BoundaryCondition >	Clone () const final
	Safe way to allow child classes to be copied.
eBoxtype	getBoxType () const noexcept final
Public Member Functions inherited from votca::csg::BoundaryCondition
virtual	~BoundaryCondition ()=default
virtual std::unique_ptr< BoundaryCondition >	Clone () const =0
	Safe way to allow child classes to be copied.
void	setBox (const Eigen::Matrix3d &box) noexcept
const Eigen::Matrix3d &	getBox () const noexcept
double	getShortestBoxDimension () const
	Self explanatory gets the shortest dimension of the boundary conditions.
virtual double	BoxVolume () const noexcept
virtual Eigen::Vector3d	BCShortestConnection (const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const =0
virtual eBoxtype	getBoxType () const noexcept=0

Additional Inherited Members
Public Types inherited from votca::csg::BoundaryCondition
enum	eBoxtype { typeAuto = 0 , typeTriclinic , typeOrthorhombic , typeOpen }
Protected Attributes inherited from votca::csg::BoundaryCondition
Eigen::Matrix3d	box_

Detailed Description

Definition at line 27 of file openbox.h.

Member Function Documentation

BCShortestConnection()

Eigen::Vector3d votca::csg::OpenBox::BCShortestConnection ( const Eigen::Vector3d &  r_i, const Eigen::Vector3d &  r_j  ) const

finalvirtual

get shortest connection vector between r_i and r_j with respect to the (periodic) box

Returns

shortest distance vector

Implements votca::csg::BoundaryCondition.

Definition at line 24 of file openbox.cc.

Clone()

virtual std::unique_ptr< BoundaryCondition > votca::csg::OpenBox::Clone ( ) const

inlinefinalvirtual

Safe way to allow child classes to be copied.

The child classes must use the same method and override it with their type for this to work.

Returns

standard pointer to child class

Implements votca::csg::BoundaryCondition.

Definition at line 33 of file openbox.h.

getBoxType()

eBoxtype votca::csg::OpenBox::getBoxType ( ) const

inlinefinalvirtualnoexcept

Implements votca::csg::BoundaryCondition.

Definition at line 37 of file openbox.h.

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The documentation for this class was generated from the following files:

• csg/include/votca/csg/openbox.h
• csg/src/libcsg/openbox.cc