File coordinate_set.hpp

This file contains a class which defines coordinates based on a coordinate system.

Author: Benjamin Lindner ben@benlabs.net
Version: See VERSION in CMakeLists.txt
Copyright: GNU General Public License

Enums

enum CoordinateRepresentation

Defines the three possible coordinate representations

Values:

enumerator CARTESIAN

enumerator SPHERICAL

enumerator CYLINDRICAL

class CoordinateSet

#include <coordinate_set.hpp>

A set of coordinates with an associated representation.

Subclassed by CartesianCoordinateSet, CylindricalCoordinateSet, SphericalCoordinateSet

Public Functions

CoordinateSet()

CoordinateSet(CoordinateSet &cs, IAtomselection *pcs_selection, IAtomselection *psub_selection)

inline size_t size()

inline CoordinateRepresentation get_representation()

Public Members

std::vector<coor2_t> c1

std::vector<coor2_t> c2

std::vector<coor2_t> c3

Protected Functions

template<class Archive> inline void serialize(Archive &ar, const unsigned int version)

Protected Attributes

size_t m_size

CoordinateRepresentation m_representation

Friends

friend class boost::serialization::access

class CartesianCoordinateSet : public CoordinateSet

#include <coordinate_set.hpp>

Specialized coordinate set which provides additional functions for translation and rotation.

Public Functions

CartesianCoordinateSet()

CartesianCoordinateSet(CartesianCoordinateSet &cs, IAtomselection *pcs_selection, IAtomselection *psub_selection)

CartesianCoordinateSet(Frame &frame, IAtomselection *selection)

void translate(CartesianCoor3D trans)

void translate(CartesianCoor3D trans, IAtomselection *pcs_selection, IAtomselection *psub_selection)

void transform(boost::numeric::ublas::matrix<double> T, IAtomselection *pcs_selection, IAtomselection *psub_selection)

void rotate(CartesianCoor3D axis1, CartesianCoor3D axis2)

Private Functions

template<class Archive> inline void serialize(Archive &ar, const unsigned int version)

Friends

friend class boost::serialization::access

class SphericalCoordinateSet : public CoordinateSet

#include <coordinate_set.hpp>

Specialized coordinate set for spherical representation

Public Functions

SphericalCoordinateSet()

SphericalCoordinateSet(CartesianCoordinateSet &cs)

Private Functions

template<class Archive> inline void serialize(Archive &ar, const unsigned int version)

Friends

friend class boost::serialization::access

class CylindricalCoordinateSet : public CoordinateSet

#include <coordinate_set.hpp>

Specialized coordinate set for cylindrical representation.

Public Functions

CylindricalCoordinateSet()

CylindricalCoordinateSet(CartesianCoordinateSet &cs, CartesianCoor3D axis)

inline CartesianCoor3D get_axis()

inline void set_axis(CartesianCoor3D axis)

Private Functions

template<class Archive> inline void serialize(Archive &ar, const unsigned int version)

Private Members

CartesianCoor3D axis_

Friends

friend class boost::serialization::access