KMCSingleState< T > Class Template Reference

Declaration of a straightforward state for advancing with the Kinetic Monte Carlo module. More...

#include <CD_KMCSingleState.H>

Public Types
using	State = std::vector< T >

Public Member Functions
	KMCSingleState ()=delete
	Disallowed weak construction.
	KMCSingleState (const KMCSingleState &a_state)=default
	Copy constructor.
	KMCSingleState (const KMCSingleState &&)=delete
	Disallowed move constructor.
	KMCSingleState (const size_t a_numSpecies) noexcept
	Full constructor.
virtual	~KMCSingleState ()
	Destructor.
KMCSingleState &	operator= (const KMCSingleState &)=default
	Copy assignment constructor.
KMCSingleState &	operator= (const KMCSingleState &&)=delete
	Disallowed move assignement.
T &	operator[] (const size_t a_idx) noexcept
	Get the population of the input index.
const T &	operator[] (const size_t a_idx) const noexcept
	Get the population of the input index.
bool	isValidState () const noexcept
	Check if state is a valid state.
std::vector< T >	linearOut () const noexcept
	Linearize the state onto an output vector.
void	linearIn (const std::vector< T > &a_linearizedState) noexcept
	Linearize the input buffer.
State &	getState () noexcept
	Get modifiable state.
const State &	getState () const noexcept
	Get state.

Protected Attributes
State	m_state
	State vector.

Detailed Description

template<typename T = long long>
class KMCSingleState< T >

Declaration of a straightforward state for advancing with the Kinetic Monte Carlo module.

The state is simply a vector of integers (default long long type ints).

Note

The template parameter indicates the integer type used for tracking the state.

Constructor & Destructor Documentation

KMCSingleState() [1/2]

template<typename T = long long>

KMCSingleState< T >::KMCSingleState ( const KMCSingleState< T > &  a_state )

inlinedefault

Copy constructor.

Parameters

[in]

a_other

Other state

KMCSingleState() [2/2]

template<typename T >

KMCSingleState< T >::KMCSingleState ( const size_t  a_numSpecies )

inlinenoexcept

Full constructor.

Parameters

[in]

a_numSpecies

Number of reactive species in the allocated state vector.

Member Function Documentation

getState() [1/2]

template<typename T >

const KMCSingleState< T >::State & KMCSingleState< T >::getState ( ) const

inlinenoexcept

Get state.

Returns

m_state

getState() [2/2]

template<typename T >

KMCSingleState< T >::State & KMCSingleState< T >::getState ( )

inlinenoexcept

Get modifiable state.

Returns

m_state

isValidState()

template<typename T >

bool KMCSingleState< T >::isValidState ( ) const

inlinenoexcept

Check if state is a valid state.

Returns

Returns false if any populations are negative.

linearIn()

template<typename T >

void KMCSingleState< T >::linearIn ( const std::vector< T > &  a_linearizedState )

inlinenoexcept

Linearize the input buffer.

This routine should take the input vector and linearize it onto the current state. This is mostly used by KMCSolver when computing the Jacobians for implicit updates.

Parameters

[in]

a_linearizedState

Linearized state vector

linearOut()

template<typename T >

std::vector< T > KMCSingleState< T >::linearOut ( ) const

inlinenoexcept

Linearize the state onto an output vector.

This is mostly by KMCSolver when computing the necessary Jacobians for implicit updates

operator[]() [1/2]

template<typename T >

const T & KMCSingleState< T >::operator[] ( const size_t  a_idx ) const

inlinenoexcept

Get the population of the input index.

Parameters

[in]

a_idx

Index in state vector

operator[]() [2/2]

template<typename T >

T & KMCSingleState< T >::operator[] ( const size_t  a_idx )

inlinenoexcept

Get the population of the input index.

Parameters

[in]

a_idx

Index in state vector

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

• Source/KineticMonteCarlo/CD_KMCSingleState.H
• Source/KineticMonteCarlo/CD_KMCSingleStateImplem.H