GQCP::CartesianExponents Struct Reference

#include <CartesianExponents.hpp>

Collaboration diagram for GQCP::CartesianExponents:

Public Member Functions
	CartesianExponents (const std::array< size_t, 3 > &array)
	CartesianExponents (const size_t x, const size_t y, const size_t z)
	CartesianExponents (const std::vector< size_t > &vector)
bool	operator< (const CartesianExponents &rhs) const
bool	operator== (const CartesianExponents &rhs) const
bool	operator!= (const CartesianExponents &rhs) const
size_t	angularMomentum () const
std::vector< CartesianExponents >	allPermutations () const
const std::array< size_t, 3 > &	asArray () const
std::string	description () const
size_t	value (const CartesianDirection direction) const

Public Attributes
std::array< size_t, 3 >	exponents

Detailed Description

A class that represents exponents of the Cartesian functions x, y and z

Constructor & Destructor Documentation

CartesianExponents() [1/3]

GQCP::CartesianExponents::CartesianExponents

(

const std::array< size_t, 3 > &

array

)

Parameters

array

the array containing the x-, y- and z-exponent (in that order)

CartesianExponents() [2/3]

GQCP::CartesianExponents::CartesianExponents	(	const size_t	x,
		const size_t	y,
		const size_t	z
	)

Parameters

x	the exponent in x
y	the exponent in y
z	the exponent in z

CartesianExponents() [3/3]

GQCP::CartesianExponents::CartesianExponents

(

const std::vector< size_t > &

vector

)

Parameters

vector

the vector containing the x-, y- and z-exponent (in that order)

Member Function Documentation

allPermutations()

std::vector< CartesianExponents > GQCP::CartesianExponents::allPermutations

(

)

const

Returns

a sorted list of all permutations (i.e. switching x, y, z) of these Cartesian exponents

angularMomentum()

size_t GQCP::CartesianExponents::angularMomentum

(

)

const

Returns

the angular momentum corresponding to these exponents

asArray()

const std::array< size_t, 3 > & GQCP::CartesianExponents::asArray ( ) const

inline

Returns

the exponents as an array

description()

std::string GQCP::CartesianExponents::description

(

)

const

Returns

a textual description of self

operator!=()

bool GQCP::CartesianExponents::operator!=

(

const CartesianExponents &

rhs

)

const

Parameters

rhs	the right-hand side of the operator ==

Returns

if the Cartesian exponents are considered different

operator<()

bool GQCP::CartesianExponents::operator<

(

const CartesianExponents &

rhs

)

const

Parameters

rhs	the right-hand side of the operator <

Returns

if these Cartesian exponents are 'smaller' than the ones on the right-hand side. The following logic is used: lhs < rhs

• if lhs's angular momentum is smaller
• if both angular momenta are equal, x takes precedence over y, over z

This means that {1, 0, 0}(=x) < {2, 0, 0}(=x^2), and {2, 0, 0}(=x^2) < {1, 1, 0}(=xy)

operator==()

bool GQCP::CartesianExponents::operator==

(

const CartesianExponents &

rhs

)

const

Parameters

rhs	the right-hand side of the operator ==

Returns

if the Cartesian exponents are considered equal

value()

size_t GQCP::CartesianExponents::value ( const CartesianDirection  direction ) const

inline

Parameters

direction

the direction (x,y,z) whose exponent should be returned

Returns

the exponent in the given direction

Member Data Documentation

exponents

std::array<size_t, 3> GQCP::CartesianExponents::exponents

---

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

• /__w/GQCP/GQCP/gqcp/include/Mathematical/Functions/CartesianExponents.hpp
• /__w/GQCP/GQCP/gqcp/src/Mathematical/Functions/CartesianExponents.cpp