Surface::Site Class Reference

Site on the lattice. More...

List of all members.

Public Types
typedef std::string	Name
typedef std::size_t	index_type
typedef std::set < Interactions::TwoBody::Geometry, sort_int_on_name >	TwoBodyInteractionsContainer
typedef std::set< Bridge, sort_br_on_name >	BridgeInteractionsContainer
typedef std::vector < Reactions::EventPtr >	EventContainer
Public Member Functions
	Site (const Name &name, index_type index, const Species &species)
	Constructor.
void	Clear ()
	Remove adsorbate.
double	InteractionEnergy () const
	Sum interaction energy over all neighbors.
double	InteractionEnergyBridge (const Site *const other_site_ptr) const
	Sum interaction energy over all bridge sites.
Accessors
Site::Name	name () const
Species	species () const
bool	empty () const
	Return true if no adsorbate.
index_type	index () const
double	self_energy () const
TwoBodyInteractionsContainer::const_reference	two_body_interactions (const TwoBodyInteractionsContainer::value_type &two_body_interactions) const
	Find two body interactions in the container.
std::pair < TwoBodyInteractionsContainer::const_iterator, TwoBodyInteractionsContainer::const_iterator >	two_body_interactions_range ()
Modifiers
void	set_species (const Species &species)
void	set_self_energy (const Interactions::SelfEnergy &self_energy)
void	set_bridge_interactions (const Bridge &bridge)
	Add bridge interactions to the container.
void	set_two_body_interactions (const TwoBodyInteractionsContainer::value_type &two_body_interactions)
	Add two body interactions.
Friends
std::istream &	operator>> (std::istream &is, Site &s)

---

Detailed Description

Sites contain a species, pointers to neighboring sites (this allows the lattice to be implemented as a linked list)

Usage:

Copy is forbidden, always pass pointers to sites

Author:

Mathias Laurin <mathias_laurin@users.sourceforge.net>

Date:

2008-11-14

---

Member Function Documentation

double Surface::Site::InteractionEnergy

(

)

const [inline]

Returns:

Energy

double Surface::Site::InteractionEnergyBridge

(

const Site *const

other_site_ptr

)

const [inline]

Parameters:

[in]

other_site_ptr

bridge sites are found between this and other_site_ptr

Returns:

Energy

void Surface::Site::set_bridge_interactions

(

const Bridge &

bridge

)

[inline]

Parameters:

[in]

bridge

void Surface::Site::set_two_body_interactions

(

const TwoBodyInteractionsContainer::value_type &

two_body_interactions

)

[inline]

Parameters:

[in]

two_body_interactions

TwoBodyInteractionsContainer::const_reference Surface::Site::two_body_interactions

(

const TwoBodyInteractionsContainer::value_type &

two_body_interactions

)

const [inline]

Parameters:

[in]

two_body_interactions

Returns:

Reference to the two_body_interactions in the container

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

• Site.hpp
• Site-inl.hpp