KMCDualState< T > Class Template Reference

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

#include <CD_KMCDualState.H>

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

Public Member Functions
	KMCDualState ()=default
	Default constructor.
	KMCDualState (KMCDualState &)=default
	Copy constructor.
	KMCDualState (KMCDualState &&)=delete
	Disallowed move constructor.
	KMCDualState (const size_t a_numReactiveSpecies, const size_t a_numNonReactiveSpecies) noexcept
	Full constructor. More...
virtual	~KMCDualState ()
	Destructor.
KMCDualState &	operator= (const KMCDualState &)=default
	Copy assignment constructor.
KMCDualState &	operator= (const KMCDualState &&)=delete
	Disallowed move assignement.
void	define (const size_t a_numReactiveSpecies, const size_t a_numNonReactiveSpecies) noexcept
	Define function constructor. More...
bool	isValidState () const noexcept
	Check if state is a valid state. An invalid state will have a negative number of reactants/non-reactants.
State &	getReactiveState () noexcept
	Get modifiable reactive state. More...
const State &	getReactiveState () const noexcept
	Get reactive state. More...
State &	getNonReactiveState () noexcept
	Get modifiable non-reactive state. More...
const State &	getNonReactiveState () const noexcept
	Get non-reactive state. More...

Protected Attributes
State	m_reactiveState
	Reactive state.
State	m_nonReactiveState
	Non-reactive state.

Detailed Description

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

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

This state consists of both reactive and non-reactive species. The reactive species can appear on the left- and right-hand side of the reaction. The non-reactive species can only appear on the right-hand side of the reaction.

Note

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

Constructor & Destructor Documentation

KMCDualState()

template<typename T >

KMCDualState< T >::KMCDualState ( const size_t  a_numReactiveSpecies, const size_t  a_numNonReactiveSpecies  )

inlinenoexcept

Full constructor.

Parameters

[in]	a_numReactiveSpecies	Number of reactive species in the state vector.
[in]	a_numNonReactiveSpecies	Number of non-reactive species in the state vector.

Member Function Documentation

define()

template<typename T >

void KMCDualState< T >::define ( const size_t  a_numReactiveSpecies, const size_t  a_numNonReactiveSpecies  )

inlinenoexcept

Define function constructor.

Parameters

[in]	a_numReactiveSpecies	Number of reactive species in the state vector.
[in]	a_numNonReactiveSpecies	Number of non-reactive species in the state vector.

getNonReactiveState() [1/2]

template<typename T >

const KMCDualState< T >::State & KMCDualState< T >::getNonReactiveState

inlinenoexcept

Get non-reactive state.

Returns

m_nonReactiveState

getNonReactiveState() [2/2]

template<typename T >

KMCDualState< T >::State & KMCDualState< T >::getNonReactiveState

inlinenoexcept

Get modifiable non-reactive state.

Returns

m_nonReactiveState

getReactiveState() [1/2]

template<typename T >

const KMCDualState< T >::State & KMCDualState< T >::getReactiveState

inlinenoexcept

Get reactive state.

Returns

m_reactiveState

getReactiveState() [2/2]

template<typename T >

KMCDualState< T >::State & KMCDualState< T >::getReactiveState

inlinenoexcept

Get modifiable reactive state.

Returns

m_reactiveState

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

• Source/KineticMonteCarlo/CD_KMCDualState.H
• Source/KineticMonteCarlo/CD_KMCDualStateImplem.H