Fix length vector class. More...

#include "math/Vector.hpp"

Public Types
using	ElemType = Real

using	ElemPoinerType = Real*

Public Member Functions
	Vector ()
	default constructor

	Vector (const Vector< Real, Dim > &v)
	Constructs and initializes a Vector from a vector.

Vector< Real, Dim > &	operator= (const Vector< Real, Dim > &v)
	copy assignment operator

Vector< Real, Dim > &	operator= (const Real *v)
	array assignment operator

	Vector (const Real &s)

	Vector (Real *v)
	Constructs and initializes a Vector from an array.

Real &	operator[] (unsigned int i)
	Returns reference of ith element.

Real &	operator() (unsigned int i)
	Returns reference of ith element.

const Real &	operator[] (unsigned int i) const
	Returns constant reference of ith element.

const Real &	operator() (unsigned int i) const
	Returns constant reference of ith element.

void	getArray (Real *array)
	Copy the internal data to an array.

Real *	getArrayPointer ()
	Returns the pointer of internal array.

bool	operator== (const Vector< Real, Dim > &v)
	Tests if this vetor is equal to other vector.

bool	operator!= (const Vector< Real, Dim > &v)
	Tests if this vetor is not equal to other vector.

void	zero ()
	Zeros out the values in this vector in place.

void	negate ()
	Negates the value of this vector in place.

void	negate (const Vector< Real, Dim > &v1)
	Sets the value of this vector to the negation of vector v1.

void	add (const Vector< Real, Dim > &v1)
	Sets the value of this vector to the sum of itself and v1 (*this += v1).

void	add (const Vector< Real, Dim > &v1, const Vector< Real, Dim > &v2)
	Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).

void	sub (const Vector< Real, Dim > &v1)
	Sets the value of this vector to the difference of itself and v1 (*this -= v1).

void	sub (const Vector< Real, Dim > &v1, const Vector &v2)
	Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).

void	mul (Real s)
	Sets the value of this vector to the scalar multiplication of itself (this = s).

void	mul (const Vector< Real, Dim > &v1, Real s)
	Sets the value of this vector to the scalar multiplication of vector v1 (this = s v1).

void	Vmul (const Vector< Real, Dim > &v1, const Vector< Real, Dim > &v2)
	Sets the elements of this vector to the multiplication of elements of two other vectors.

Vector< Real, Dim > &	abs ()

Real	max ()

void	div (Real s)
	Sets the value of this vector to the scalar division of itself (*this /= s ).

void	div (const Vector< Real, Dim > &v1, Real s)
	Sets the value of this vector to the scalar division of vector v1 (*this = v1 / s ).

void	Vdiv (const Vector< Real, Dim > &v1, const Vector< Real, Dim > &v2)
	Sets the elements of this vector to the division of elements of two other vectors.

Vector< Real, Dim > &	operator+= (const Vector< Real, Dim > &v1)

Vector< Real, Dim > &	operator-= (const Vector< Real, Dim > &v1)

Vector< Real, Dim > &	operator*= (Real s)

Vector< Real, Dim > &	operator/= (Real s)

Real	sum ()
	Returns the sum of all elements of this vector.

Real	componentProduct ()
	Returns the product of all elements of this vector.

Real	length ()
	Returns the length of this vector.

Real	lengthSquare ()
	Returns the squared length of this vector.

void	normalize ()
	Normalizes this vector in place.

bool	isNormalized ()
	Tests if this vector is normalized.

unsigned int	size () const

Protected Attributes
Real	data_ [Dim] {}

Detailed Description

template<typename Real, unsigned int Dim>
class OpenMD::Vector< Real, Dim >

Fix length vector class.

Definition at line 78 of file Vector.hpp.

Member Typedef Documentation

◆ ElemPoinerType

template<typename Real , unsigned int Dim>

using OpenMD::Vector< Real, Dim >::ElemPoinerType = Real*

Definition at line 81 of file Vector.hpp.

◆ ElemType

template<typename Real , unsigned int Dim>

using OpenMD::Vector< Real, Dim >::ElemType = Real

Definition at line 80 of file Vector.hpp.

Constructor & Destructor Documentation

◆ Vector() [1/4]

template<typename Real , unsigned int Dim>

OpenMD::Vector< Real, Dim >::Vector ( )

inline

default constructor

Definition at line 84 of file Vector.hpp.

◆ Vector() [2/4]

template<typename Real , unsigned int Dim>

OpenMD::Vector< Real, Dim >::Vector ( const Vector< Real, Dim > & v )

inline

Constructs and initializes a Vector from a vector.

Definition at line 90 of file Vector.hpp.

◆ Vector() [3/4]

template<typename Real , unsigned int Dim>

OpenMD::Vector< Real, Dim >::Vector ( const Real & s )

inline

Definition at line 112 of file Vector.hpp.

◆ Vector() [4/4]

template<typename Real , unsigned int Dim>

OpenMD::Vector< Real, Dim >::Vector ( Real * v )

inline

Constructs and initializes a Vector from an array.

Definition at line 118 of file Vector.hpp.

Member Function Documentation

◆ abs()

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::abs ( )

inline

Definition at line 290 of file Vector.hpp.

◆ add() [1/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::add ( const Vector< Real, Dim > & v1 )

inline

Sets the value of this vector to the sum of itself and v1 (*this += v1).

Parameters

v1	the other vector

Definition at line 218 of file Vector.hpp.

Referenced by OpenMD::operator+(), and OpenMD::Vector< Real, Dim >::operator+=().

◆ add() [2/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::add	(	const Vector< Real, Dim > &	v1,
		const Vector< Real, Dim > &	v2 )

inline

Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).

Parameters

v1	the first vector
v2	the second vector

Definition at line 228 of file Vector.hpp.

◆ componentProduct()

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::componentProduct ( )

inline

Returns the product of all elements of this vector.

Returns: the product of all elements of this vector

Definition at line 381 of file Vector.hpp.

◆ div() [1/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::div	(	const Vector< Real, Dim > &	v1,
		Real	s )

inline

Sets the value of this vector to the scalar division of vector v1 (*this = v1 / s ).

Parameters

v1	the source vector
s	the scalar value

Definition at line 322 of file Vector.hpp.

◆ div() [2/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::div ( Real s )

inline

Sets the value of this vector to the scalar division of itself (*this /= s ).

Parameters

s	the scalar value

Definition at line 311 of file Vector.hpp.

Referenced by OpenMD::operator/(), and OpenMD::Vector< Real, Dim >::operator/=().

◆ getArray()

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::getArray ( Real * array )

inline

Copy the internal data to an array.

Definition at line 164 of file Vector.hpp.

◆ getArrayPointer()

template<typename Real , unsigned int Dim>

Real * OpenMD::Vector< Real, Dim >::getArrayPointer ( )

inline

Returns the pointer of internal array.

Definition at line 171 of file Vector.hpp.

Referenced by OpenMD::Thermo::getAngularMomentum(), OpenMD::Thermo::getCom(), OpenMD::Thermo::getComAll(), OpenMD::Thermo::getComVel(), OpenMD::Thermo::getInertiaTensor(), and OpenMD::Thermo::getSystemDipole().

◆ isNormalized()

template<typename Real , unsigned int Dim>

bool OpenMD::Vector< Real, Dim >::isNormalized ( )

inline

Tests if this vector is normalized.

Returns: true if this vector is normalized, otherwise return false

Definition at line 417 of file Vector.hpp.

References OpenMD::equal(), and OpenMD::Vector< Real, Dim >::lengthSquare().

◆ length()

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::length ( )

inline

Returns the length of this vector.

Returns: the length of this vector

Definition at line 393 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::lengthSquare().

Referenced by OpenMD::Bend::calcForce(), OpenMD::GhostBend::calcForce(), OpenMD::MolecularRestraint::calcForce(), OpenMD::distance(), OpenMD::Bend::getValue(), OpenMD::Bond::getValue(), OpenMD::Torsion::getValue(), OpenMD::shapedLatticeSpherical::isInterior(), and OpenMD::Vector< Real, Dim >::normalize().

◆ lengthSquare()

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::lengthSquare ( )

inline

Returns the squared length of this vector.

Returns: the squared length of this vector

Definition at line 399 of file Vector.hpp.

References OpenMD::dot().

Referenced by OpenMD::distanceSquare(), OpenMD::Cuboctahedron::getPoints(), OpenMD::Vector< Real, Dim >::isNormalized(), and OpenMD::Vector< Real, Dim >::length().

◆ max()

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::max ( )

inline

Definition at line 298 of file Vector.hpp.

◆ mul() [1/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::mul	(	const Vector< Real, Dim > &	v1,
		Real	s )

inline

Sets the value of this vector to the scalar multiplication of vector v1 (*this = s * v1).

Parameters

v1	the vector
s	the scalar value

Definition at line 270 of file Vector.hpp.

◆ mul() [2/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::mul ( Real s )

inline

Sets the value of this vector to the scalar multiplication of itself (*this *= s).

Parameters

s	the scalar value

Definition at line 259 of file Vector.hpp.

Referenced by OpenMD::operator*(), OpenMD::operator*(), and OpenMD::Vector< Real, Dim >::operator*=().

◆ negate() [1/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::negate ( )

inline

Negates the value of this vector in place.

Definition at line 200 of file Vector.hpp.

Referenced by OpenMD::operator-().

◆ negate() [2/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::negate ( const Vector< Real, Dim > & v1 )

inline

Sets the value of this vector to the negation of vector v1.

Parameters

v1	the source vector

Definition at line 209 of file Vector.hpp.

◆ normalize()

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::normalize ( )

inline

Normalizes this vector in place.

Definition at line 402 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::length().

Referenced by OpenMD::SquareMatrix3< Real >::axisAngle(), OpenMD::SquareMatrix3< Real >::diagonalize(), OpenMD::Quaternion< Real >::fromAxisAngle(), OpenMD::Inversion::getValue(), and OpenMD::Torsion::getValue().

◆ operator!=()

template<typename Real , unsigned int Dim>

bool OpenMD::Vector< Real, Dim >::operator!= ( const Vector< Real, Dim > & v )

inline

Tests if this vetor is not equal to other vector.

Returns: true if equal, otherwise return false

Parameters

v	vector to be compared

Definition at line 191 of file Vector.hpp.

◆ operator()() [1/2]

template<typename Real , unsigned int Dim>

Real & OpenMD::Vector< Real, Dim >::operator() ( unsigned int i )

inline

Returns reference of ith element.

Returns: reference of ith element

Parameters

i index

Definition at line 138 of file Vector.hpp.

◆ operator()() [2/2]

template<typename Real , unsigned int Dim>

const Real & OpenMD::Vector< Real, Dim >::operator() ( unsigned int i ) const

inline

Returns constant reference of ith element.

Returns: reference of ith element

Parameters

i index

Definition at line 158 of file Vector.hpp.

◆ operator*=()

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator*= ( Real s )

inline

See also: mul

Definition at line 354 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::mul().

◆ operator+=()

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator+= ( const Vector< Real, Dim > & v1 )

inline

See also: add

Definition at line 342 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::add().

◆ operator-=()

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator-= ( const Vector< Real, Dim > & v1 )

inline

See also: sub

Definition at line 348 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::sub().

◆ operator/=()

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator/= ( Real s )

inline

See also: div

Definition at line 360 of file Vector.hpp.

References OpenMD::Vector< Real, Dim >::div().

◆ operator=() [1/2]

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator= ( const Real * v )

inline

array assignment operator

Definition at line 103 of file Vector.hpp.

◆ operator=() [2/2]

template<typename Real , unsigned int Dim>

Vector< Real, Dim > & OpenMD::Vector< Real, Dim >::operator= ( const Vector< Real, Dim > & v )

inline

copy assignment operator

Definition at line 93 of file Vector.hpp.

Referenced by OpenMD::Quaternion< Real >::operator=().

◆ operator==()

template<typename Real , unsigned int Dim>

bool OpenMD::Vector< Real, Dim >::operator== ( const Vector< Real, Dim > & v )

inline

Tests if this vetor is equal to other vector.

Returns: true if equal, otherwise return false

Parameters

v	vector to be compared

Definition at line 178 of file Vector.hpp.

References OpenMD::equal().

◆ operator[]() [1/2]

template<typename Real , unsigned int Dim>

Real & OpenMD::Vector< Real, Dim >::operator[] ( unsigned int i )

inline

Returns reference of ith element.

Returns: reference of ith element

Parameters

i index

Definition at line 128 of file Vector.hpp.

◆ operator[]() [2/2]

template<typename Real , unsigned int Dim>

const Real & OpenMD::Vector< Real, Dim >::operator[] ( unsigned int i ) const

inline

Returns constant reference of ith element.

Returns: reference of ith element

Parameters

i index

Definition at line 148 of file Vector.hpp.

◆ size()

template<typename Real , unsigned int Dim>

unsigned int OpenMD::Vector< Real, Dim >::size ( ) const

inline

Definition at line 419 of file Vector.hpp.

◆ sub() [1/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::sub ( const Vector< Real, Dim > & v1 )

inline

Sets the value of this vector to the difference of itself and v1 (*this -= v1).

Parameters

v1	the other vector

Definition at line 238 of file Vector.hpp.

Referenced by OpenMD::operator-(), and OpenMD::Vector< Real, Dim >::operator-=().

◆ sub() [2/2]

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::sub	(	const Vector< Real, Dim > &	v1,
		const Vector< Real, Dim > &	v2 )

inline

Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).

Parameters

v1	the first vector
v2	the second vector

Definition at line 249 of file Vector.hpp.

◆ sum()

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::sum ( )

inline

Returns the sum of all elements of this vector.

Returns: the sum of all elements of this vector

Definition at line 369 of file Vector.hpp.

◆ Vdiv()

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::Vdiv	(	const Vector< Real, Dim > &	v1,
		const Vector< Real, Dim > &	v2 )

inline

Sets the elements of this vector to the division of elements of two other vectors.

Not to be confused with scalar division (div)

(*this.data_[i] = v1.data_[i] / v2.data_[i]).

Parameters

v1	the first vector
v2	the second vector

Definition at line 336 of file Vector.hpp.

◆ Vmul()

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::Vmul	(	const Vector< Real, Dim > &	v1,
		const Vector< Real, Dim > &	v2 )

inline

Sets the elements of this vector to the multiplication of elements of two other vectors.

Not to be confused with scalar multiplication (mul) or dot products.

(*this.data_[i] = v1.data_[i] * v2.data_[i]).

Parameters

v1	the first vector
v2	the second vector

Definition at line 284 of file Vector.hpp.

◆ zero()

template<typename Real , unsigned int Dim>

void OpenMD::Vector< Real, Dim >::zero ( )

inline

Zeros out the values in this vector in place.

Definition at line 194 of file Vector.hpp.

Member Data Documentation

◆ data_

template<typename Real , unsigned int Dim>

Real OpenMD::Vector< Real, Dim >::data_[Dim] {}

protected

Definition at line 422 of file Vector.hpp.

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

math/Vector.hpp

Public Types

Public Member Functions

Protected Attributes

Detailed Description

Member Typedef Documentation

◆ ElemPoinerType

◆ ElemType

Constructor & Destructor Documentation

◆ Vector() [1/4]

◆ Vector() [2/4]

◆ Vector() [3/4]

◆ Vector() [4/4]

Member Function Documentation

◆ abs()

◆ add() [1/2]

◆ add() [2/2]

◆ componentProduct()

◆ div() [1/2]

◆ div() [2/2]

◆ getArray()

◆ getArrayPointer()

◆ isNormalized()

◆ length()

◆ lengthSquare()

◆ max()

◆ mul() [1/2]

◆ mul() [2/2]

◆ negate() [1/2]

◆ negate() [2/2]

◆ normalize()

◆ operator!=()

◆ operator()() [1/2]

◆ operator()() [2/2]

◆ operator*=()

◆ operator+=()

◆ operator-=()

◆ operator/=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ operator[]() [1/2]

◆ operator[]() [2/2]

◆ size()

◆ sub() [1/2]

◆ sub() [2/2]

◆ sum()

◆ Vdiv()

◆ Vmul()

◆ zero()

Member Data Documentation

◆ data_