#include <point.h>

Inheritance diagram for RDGeom::Point3D:

Public Member Functions
	Point3D ()

	Point3D (double xv, double yv, double zv)

	~Point3D () override=default

	Point3D (const Point3D &other)

Point *	copy () const override

unsigned int	dimension () const override

double	operator[] (unsigned int i) const override

double &	operator[] (unsigned int i) override

Point3D &	operator= (const Point3D &other)

Point3D &	operator+= (const Point3D &other)

Point3D &	operator-= (const Point3D &other)

Point3D &	operator*= (double scale)

Point3D &	operator/= (double scale)

Point3D	operator- () const

void	normalize () override

double	length () const override

double	lengthSq () const override

double	dotProduct (const Point3D &other) const

double	angleTo (const Point3D &other) const
	determines the angle between a vector to this point from the origin and a vector to the other point.

double	signedAngleTo (const Point3D &other) const
	determines the signed angle between a vector to this point from the origin and a vector to the other point.

Point3D	directionVector (const Point3D &other) const
	Returns a normalized direction vector from this point to another.

Point3D	crossProduct (const Point3D &other) const
	Cross product of this point with the another point.

Point3D	getPerpendicular () const
	Get a unit perpendicular from this point (treating it as a vector):

Public Member Functions inherited from RDGeom::Point
virtual	~Point ()

Public Attributes
double	x {0.0}

double	y {0.0}

double	z {0.0}

Detailed Description

Definition at line 54 of file point.h.

Constructor & Destructor Documentation

◆ Point3D() [1/3]

RDGeom::Point3D::Point3D ( )

inline

Definition at line 60 of file point.h.

◆ Point3D() [2/3]

RDGeom::Point3D::Point3D	(	double	xv,
		double	yv,
		double	zv
	)

inline

Definition at line 61 of file point.h.

◆ ~Point3D()

RDGeom::Point3D::~Point3D ( )

overridedefault

◆ Point3D() [3/3]

RDGeom::Point3D::Point3D ( const Point3D & other )

inline

Definition at line 65 of file point.h.

Member Function Documentation

◆ angleTo()

double RDGeom::Point3D::angleTo ( const Point3D & other ) const

inline

determines the angle between a vector to this point from the origin and a vector to the other point.

The angle is unsigned: the results of this call will always be between 0 and M_PI

Definition at line 179 of file point.h.

References lengthSq(), and M_PI.

◆ copy()

Point * RDGeom::Point3D::copy ( ) const

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 68 of file point.h.

◆ crossProduct()

Point3D RDGeom::Point3D::crossProduct ( const Point3D & other ) const

inline

Cross product of this point with the another point.

The order is important here The result is "this" cross with "other" not (other x this)

Definition at line 227 of file point.h.

References x, y, and z.

Referenced by DistGeom::ChiralViolationContrib::calcChiralVolume(), and DistGeom::ChiralViolationContrib::calcChiralVolume().

◆ dimension()

unsigned int RDGeom::Point3D::dimension ( ) const

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 70 of file point.h.

◆ directionVector()

Point3D RDGeom::Point3D::directionVector ( const Point3D & other ) const

inline

Returns a normalized direction vector from this point to another.

Definition at line 213 of file point.h.

References normalize(), x, y, and z.

◆ dotProduct()

double RDGeom::Point3D::dotProduct ( const Point3D & other ) const

inline

Definition at line 168 of file point.h.

References x, y, and z.

Referenced by DistGeom::ChiralViolationContrib::calcChiralVolume(), and DistGeom::ChiralViolationContrib::calcChiralVolume().

◆ getPerpendicular()

Point3D RDGeom::Point3D::getPerpendicular ( ) const

inline

Get a unit perpendicular from this point (treating it as a vector):

Definition at line 238 of file point.h.

References length(), POSTCONDITION, x, y, and z.

◆ length()

double RDGeom::Point3D::length ( ) const

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 157 of file point.h.

Referenced by RDGeom::compute14Dist3D(), and getPerpendicular().

◆ lengthSq()

double RDGeom::Point3D::lengthSq ( ) const

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 162 of file point.h.

Referenced by angleTo().

◆ normalize()

void RDGeom::Point3D::normalize ( )

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 146 of file point.h.

References zero_tolerance.

Referenced by directionVector().

◆ operator*=()

Point3D & RDGeom::Point3D::operator*= ( double scale )

inline

Definition at line 124 of file point.h.

◆ operator+=()

Point3D & RDGeom::Point3D::operator+= ( const Point3D & other )

inline

Definition at line 110 of file point.h.

References x, y, and z.

◆ operator-()

Point3D RDGeom::Point3D::operator- ( ) const

inline

Definition at line 138 of file point.h.

References x, y, and z.

◆ operator-=()

Point3D & RDGeom::Point3D::operator-= ( const Point3D & other )

inline

Definition at line 117 of file point.h.

References x, y, and z.

◆ operator/=()

Point3D & RDGeom::Point3D::operator/= ( double scale )

inline

Definition at line 131 of file point.h.

◆ operator=()

Point3D & RDGeom::Point3D::operator= ( const Point3D & other )

inline

Definition at line 100 of file point.h.

References x, y, and z.

◆ operator[]() [1/2]

double RDGeom::Point3D::operator[] ( unsigned int i ) const

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 72 of file point.h.

◆ operator[]() [2/2]

double & RDGeom::Point3D::operator[] ( unsigned int i )

inlineoverridevirtual

Implements RDGeom::Point.

Definition at line 86 of file point.h.

◆ signedAngleTo()

double RDGeom::Point3D::signedAngleTo ( const Point3D & other ) const

inline

determines the signed angle between a vector to this point from the origin and a vector to the other point.

The results of this call will be between 0 and M_2_PI

Definition at line 200 of file point.h.

References M_PI, x, y, and zero_tolerance.

Member Data Documentation

◆ x

double RDGeom::Point3D::x {0.0}

Definition at line 56 of file point.h.

Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), operator+=(), operator-(), operator-=(), operator=(), and signedAngleTo().

◆ y

double RDGeom::Point3D::y {0.0}

Definition at line 57 of file point.h.

Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), operator+=(), operator-(), operator-=(), operator=(), and signedAngleTo().

◆ z

double RDGeom::Point3D::z {0.0}

Definition at line 58 of file point.h.

Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), operator+=(), operator-(), operator-=(), and operator=().

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

point.h

Public Member Functions

Public Attributes

Detailed Description

Constructor & Destructor Documentation

◆ Point3D() [1/3]

◆ Point3D() [2/3]

◆ ~Point3D()

◆ Point3D() [3/3]

Member Function Documentation

◆ angleTo()

◆ copy()

◆ crossProduct()

◆ dimension()

◆ directionVector()

◆ dotProduct()

◆ getPerpendicular()

◆ length()

◆ lengthSq()

◆ normalize()

◆ operator*=()

◆ operator+=()

◆ operator-()

◆ operator-=()

◆ operator/=()

◆ operator=()

◆ operator[]() [1/2]

◆ operator[]() [2/2]

◆ signedAngleTo()

Member Data Documentation

◆ x

◆ y

◆ z