Detailed Description

An IntVector is an integer Cartesian vector.

The Cartesian elements of a IntVector can be accessed using array notation: The elements of a three dimensional IntVector v are v[0], v[1], and v[2]. The subscript operator [] returns elements as references, which can be used on either the left or right side of an assignment operator.

The arithmetic assignment operators +=, -=, *=, and /= are overloaded. The operators += and -= represent increment or decrement by a vector, while *= and /= represent multiplication or division by an integer.

All other unary and binary mathematical operations are implemented as methods. Operations that yield a scalar result, such as a dot product, are implemented as methods that return the resulting value. Operations that yield a IntVector, such as vector addition, are implemented by methods that assign the result to the invoking vector, and return a reference to the invoking vector. For example,

IntVector a, b, c;
int s;
a[0] = 0.0
a[1] = 1.0
a[2] = 2.0
b[0] =  0.5
b[1] = -0.5
b[2] = -1.5
// Set s = a.b
s = dot(a, b) 
// Set c = a + b
c.add(a, b)
// Set a = a + b
a += b
// Set b = b*2
b *= 2

This syntax for IntVector valued operations avoids dynamic allocation of temporary IntVector objects, by requiring that the invoking function provide an object to hold the result.

For efficiency, all methods in this class are inlined.

Definition at line 73 of file IntVector.h.

#include <IntVector.h>

Public Member Functions
IntVector &	zero ()
	Set all elements of a 3D vector to zero. More...

template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize to/from an archive. More...

Constructors
	IntVector ()
	Default constructor. More...

	IntVector (const IntVector &v)
	Copy constructor. More...

	IntVector (int scalar)
	Constructor, initialize all elements to the same scalar. More...

	IntVector (const int *v)
	Construct IntVector from C int[3] array. More...

	IntVector (int x, int y, int z=0)
	Construct IntVector from its coordinates. More...

Assignment
IntVector &	operator= (const IntVector &v)
	Copy assignment. More...

IntVector &	operator= (const int *v)
	Assignment from C int[] array. More...

Arithmetic Assignment
void	operator+= (const IntVector &dv)
	Add vector dv to this vector. More...

void	operator-= (const IntVector &dv)
	Subtract vector dv from this vector. More...

void	operator*= (int s)
	Multiply this vector by scalar s. More...

Array Subscript
const int &	operator[] (int i) const
	Return one Cartesian element by value. More...

int &	operator[] (int i)
	Return a reference to one element of the vector. More...

Scalar valued functions
int	square () const
	Return square magnitude of this vector. More...

int	dot (const IntVector &v) const
	Return dot product of this vector and vector v. More...

IntVector valued functions (result assigned to invoking object)
IntVector &	add (const IntVector &v1, const IntVector &v2)
	Add vectors v1 and v2. More...

IntVector &	subtract (const IntVector &v1, const IntVector &v2)
	Subtract vector v2 from v1. More...

IntVector &	multiply (const IntVector &v, int s)
	Multiply a vector v by a scalar s. More...

IntVector &	cross (const IntVector &v1, const IntVector &v2)
	Calculate cross product of vectors v1 and v2. More...

Friends
bool	operator== (const IntVector &v1, const IntVector &v2)
	Equality for IntVectors. More...

bool	operator== (const IntVector &v1, const int *v2)
	Equality of IntVector and C array. More...

std::istream &	operator>> (std::istream &in, IntVector &vector)
	istream extractor for a IntVector. More...

std::ostream &	operator<< (std::ostream &out, const IntVector &vector)
	ostream inserter for a IntVector. More...

Static Members
static const IntVector	Zero = IntVector(0)
	Zero IntVector. More...

static void	initStatic ()
	Initialize static IntVector::Zero. More...

static void	commitMpiType ()
	Commit MPI datatype MpiTraits<IntVector>::type. More...

Constructor & Destructor Documentation

Util::IntVector::IntVector ( )

inline

Default constructor.

Definition at line 84 of file IntVector.h.

Util::IntVector::IntVector ( const IntVector & v )

inline

Copy constructor.

Definition at line 90 of file IntVector.h.

Util::IntVector::IntVector ( int scalar )

inlineexplicit

Constructor, initialize all elements to the same scalar.

Parameters

scalar initial value for all elements.

Definition at line 102 of file IntVector.h.

Util::IntVector::IntVector ( const int * v )

inlineexplicit

Construct IntVector from C int[3] array.

Parameters

v	array of 3 coordinates

Definition at line 114 of file IntVector.h.

Util::IntVector::IntVector	(	int	x,
		int	y,
		int	z = `0`
	)

inline

Construct IntVector from its coordinates.

Parameters

x	x-axis coordinate
y	y-axis coordinate
z	z-axis coordinate

Definition at line 128 of file IntVector.h.

Member Function Documentation

IntVector& Util::IntVector::zero ( )

inline

Set all elements of a 3D vector to zero.

Definition at line 140 of file IntVector.h.

References serialize().

Referenced by McMd::Atom::allocate().

template<class Archive >

void Util::IntVector::serialize	(	Archive &	ar,
		const unsigned int	version
	)

inline

Serialize to/from an archive.

Implementation uses syntax of Boost::serialize.

Parameters

ar	archive
version	archive version id

Definition at line 456 of file IntVector.h.

Referenced by zero().

IntVector& Util::IntVector::operator= ( const IntVector & v )

inline

Copy assignment.

Parameters

v	IntVector to assign.

Definition at line 167 of file IntVector.h.

IntVector& Util::IntVector::operator= ( const int * v )

inline

Assignment from C int[] array.

Parameters

v	array of coordinates

Definition at line 180 of file IntVector.h.

void Util::IntVector::operator+= ( const IntVector & dv )

inline

Add vector dv to this vector.

Upon return, *this = this + dv.

Parameters

dv	vector increment (input)

Definition at line 199 of file IntVector.h.

void Util::IntVector::operator-= ( const IntVector & dv )

inline

Subtract vector dv from this vector.

Upon return, *this = this + dv.

Parameters

dv	vector increment (input)

Definition at line 213 of file IntVector.h.

void Util::IntVector::operator*= ( int s )

inline

Multiply this vector by scalar s.

Upon return, *this = this*s.

Parameters

s	scalar multiplier

Definition at line 227 of file IntVector.h.

const int& Util::IntVector::operator[] ( int i ) const

inline

Return one Cartesian element by value.

Parameters

i	element index

Returns: element i of the vector

Definition at line 244 of file IntVector.h.

References Util::Dimension.

int& Util::IntVector::operator[] ( int i )

inline

Return a reference to one element of the vector.

Parameters

i	element index

Returns: element i of the vector

Definition at line 257 of file IntVector.h.

References Util::Dimension.

int Util::IntVector::square ( ) const

inline

Return square magnitude of this vector.

Returns: square magnitude of this vector

Definition at line 273 of file IntVector.h.

int Util::IntVector::dot ( const IntVector & v ) const

inline

Return dot product of this vector and vector v.

Parameters

v	input vector

Returns: dot product of this vector and vector v

Definition at line 282 of file IntVector.h.

IntVector& Util::IntVector::add	(	const IntVector &	v1,
		const IntVector &	v2
	)

inline

Add vectors v1 and v2.

Upon return, *this = v1 + v2.

Parameters

v1	vector (input)
v2	vector (input)

Definition at line 299 of file IntVector.h.

IntVector& Util::IntVector::subtract	(	const IntVector &	v1,
		const IntVector &	v2
	)

inline

Subtract vector v2 from v1.

Upon return, *this = v1 - v2.

Parameters

v1	vector (input)
v2	vector (input)

Returns: modified invoking vector

Definition at line 316 of file IntVector.h.

IntVector& Util::IntVector::multiply	(	const IntVector &	v,
		int	s
	)

inline

Multiply a vector v by a scalar s.

Upon return, *this = v*s.

Parameters

v	vector input
s	scalar input

Returns: modified invoking vector

Definition at line 333 of file IntVector.h.

IntVector& Util::IntVector::cross	(	const IntVector &	v1,
		const IntVector &	v2
	)

inline

Calculate cross product of vectors v1 and v2.

Upon return, *this = v1 x v2.

Parameters

v1	input vector
v2	input vector

Returns: modified invoking vector

Definition at line 350 of file IntVector.h.

void Util::IntVector::initStatic ( )

static

Initialize static IntVector::Zero.

Definition at line 113 of file IntVector.cpp.

Referenced by Util::initStatic().

void Util::IntVector::commitMpiType ( )

static

Commit MPI datatype MpiTraits<IntVector>::type.

Definition at line 92 of file IntVector.cpp.

References Util::MpiStructBuilder::addMember(), Util::MpiStructBuilder::commit(), and Util::MpiStructBuilder::setBase().

Referenced by McMd::commitMpiTypes(), and DdMd::Simulation::Simulation().

Friends And Related Function Documentation

bool operator==	(	const IntVector &	v1,
		const IntVector &	v2
	)

friend

Equality for IntVectors.

Definition at line 24 of file IntVector.cpp.

bool operator==	(	const IntVector &	v1,
		const int *	v2
	)

friend

Equality of IntVector and C array.

Definition at line 35 of file IntVector.cpp.

std::istream& operator>>	(	std::istream &	in,
		IntVector &	vector
	)

friend

istream extractor for a IntVector.

Input elements of a vector from stream, without line breaks.

Parameters

in	input stream
vector	IntVector to be read from stream

Returns: modified input stream

Definition at line 64 of file IntVector.cpp.

std::ostream& operator<<	(	std::ostream &	out,
		const IntVector &	vector
	)

friend

ostream inserter for a IntVector.

Output elements of a vector to stream, without line breaks.

Parameters

out	output stream
vector	IntVector to be written to stream

Returns: modified output stream

Definition at line 75 of file IntVector.cpp.

Member Data Documentation

const IntVector Util::IntVector::Zero = IntVector(0)

static

Zero IntVector.

Definition at line 364 of file IntVector.h.

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

Detailed Description

Public Member Functions

Friends

Static Members

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation