ScafacosContextBase Struct Reference

Public interface to the ScaFaCoS context. More...

#include <ScafacosContextBase.hpp>

Inheritance diagram for ScafacosContextBase:

Public Member Functions
	ScafacosContextBase ()=default
virtual	~ScafacosContextBase ()=default
virtual void	update_particle_data ()=0
	Collect particle data in continuous arrays.
virtual void	update_particle_forces () const =0
	Write forces back to particles.
virtual double	long_range_energy ()=0
	Calculate long-range part of the energy.
virtual void	add_long_range_forces ()=0
	Add long-range part of the forces to particles.
virtual void	update_system_params ()=0
	Reinitialize number of particles, box shape and periodicity.
virtual std::string	get_method () const =0
virtual std::string	get_parameters () const =0
virtual void	sanity_checks () const =0

Static Public Member Functions
static std::vector< std::string >	available_methods ()
static void	sanity_check_method (std::string const &method_name)

Detailed Description

Public interface to the ScaFaCoS context.

Implementations of this class will store particle positions and charges/dipoles in flat arrays, as required by ScaFaCoS, as well as the output arrays.

Definition at line 47 of file ScafacosContextBase.hpp.

Constructor & Destructor Documentation

ScafacosContextBase()

ScafacosContextBase::ScafacosContextBase ( )

default

~ScafacosContextBase()

virtual ScafacosContextBase::~ScafacosContextBase ( )

virtualdefault

Member Function Documentation

add_long_range_forces()

virtual void ScafacosContextBase::add_long_range_forces ( )

pure virtual

Add long-range part of the forces to particles.

Implemented in CoulombScafacosImpl, and DipolarScafacosImpl.

available_methods()

std::vector< std::string > ScafacosContextBase::available_methods ( )

static

Definition at line 35 of file ScafacosContextBase.cpp.

Referenced by ScriptInterface::Scafacos::available_methods(), and sanity_check_method().

get_method()

virtual std::string ScafacosContextBase::get_method ( ) const

pure virtual

Implemented in ScafacosContext< ScafacosInterface >.

get_parameters()

virtual std::string ScafacosContextBase::get_parameters ( ) const

pure virtual

Implemented in ScafacosContext< ScafacosInterface >.

long_range_energy()

virtual double ScafacosContextBase::long_range_energy ( )

pure virtual

Calculate long-range part of the energy.

Implemented in CoulombScafacosImpl, and DipolarScafacosImpl.

sanity_check_method()

void ScafacosContextBase::sanity_check_method ( std::string const &  method_name )

static

Definition at line 39 of file ScafacosContextBase.cpp.

References available_methods().

Referenced by ScriptInterface::Coulomb::CoulombScafacos::do_construct(), and ScriptInterface::Dipoles::DipolarScafacos::do_construct().

sanity_checks()

virtual void ScafacosContextBase::sanity_checks ( ) const

pure virtual

Implemented in CoulombScafacos, and DipolarScafacos.

update_particle_data()

virtual void ScafacosContextBase::update_particle_data ( )

pure virtual

Collect particle data in continuous arrays.

Implemented in CoulombScafacosImpl, and DipolarScafacosImpl.

update_particle_forces()

virtual void ScafacosContextBase::update_particle_forces ( ) const

pure virtual

Write forces back to particles.

Implemented in CoulombScafacosImpl, and DipolarScafacosImpl.

update_system_params()

virtual void ScafacosContextBase::update_system_params ( )

pure virtual

Reinitialize number of particles, box shape and periodicity.

Implemented in ScafacosContext< ScafacosInterface >.

Referenced by CoulombScafacos::on_activation(), DipolarScafacos::on_activation(), CoulombScafacos::on_boxl_change(), DipolarScafacos::on_boxl_change(), CoulombScafacos::on_periodicity_change(), and DipolarScafacos::on_periodicity_change().

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

• ScafacosContextBase.hpp
• ScafacosContextBase.cpp