#include <thermostat.hpp>

Inheritance diagram for ScriptInterface::Thermostat::Interface< CoreClass >:

Collaboration diagram for ScriptInterface::Thermostat::Interface< CoreClass >:

Public Types
using	CoreThermostat = CoreClass

Public Member Functions
	Interface ()

virtual std::optional< double >	extract_kT (VariantMap const &params) const

auto	release_lock ()

auto	is_activated () const

virtual bool	is_seed_required () const

auto	get_rng_seed () const

auto	get_rng_counter () const

void	set_rng_seed (Variant const &value)

void	set_rng_counter (Variant const &value)

void	do_construct (VariantMap const &params) override

void	update_and_bind (VariantMap const &params, bool was_active, std::shared_ptr<::System::System > system)

virtual ::ThermostatFlags	get_thermo_flag () const =0

Public Member Functions inherited from ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >
std::span< const boost::string_ref >	valid_parameters () const final

Variant	get_parameter (const std::string &name) const final

void	do_set_parameter (const std::string &name, const Variant &value) final

std::vector< std::pair< std::string, Variant > >	serialize_parameters () const final

Public Member Functions inherited from ScriptInterface::System::Leaf
void	bind_system (std::shared_ptr<::System::System > const &system)

void	detach_system ()

Public Member Functions inherited from ScriptInterface::ObjectHandle
	ObjectHandle ()=default

	ObjectHandle (ObjectHandle const &)=delete

ObjectHandle &	operator= (ObjectHandle const &)=delete

virtual	~ObjectHandle ()=default

boost::string_ref	name () const

Context *	context () const
	Responsible context.

void	construct (VariantMap const &params)
	Construct the handled object.

VariantMap	get_parameters () const
	Get current parameters.

auto	get_valid_parameters () const

void	set_parameter (const std::string &name, const Variant &value)
	Set single parameter.

Variant	call_method (const std::string &name, const VariantMap &params)
	Call a method on the object.

std::string	serialize () const

Protected Member Functions
void	check_lock ()

void	on_bind_system (::System::System &system) override

void	on_detach_system (::System::System &system) override

void	sanity_checks_positive (double value, std::string const &name) const

void	sanity_checks_positive (Utils::Vector3d const &value, std::string const &name) const

virtual bool	invalid_rng_state (VariantMap const &params) const

template<typename T >
auto	make_autoparameter (T CoreThermostat::member, char const name)

template<typename T >
auto	make_autogamma (T CoreThermostat::member, char const name)

virtual VariantMap	extend_parameters (VariantMap const &parameters) const

Variant	do_call_method (std::string const &name, VariantMap const &params) override

Protected Member Functions inherited from ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >
	AutoParameters ()=default

	AutoParameters (std::vector< AutoParameter > &&params)

void	add_parameters (std::vector< AutoParameter > &&params)

auto const &	get_parameter_insertion_order () const

Protected Member Functions inherited from ScriptInterface::System::Leaf
auto const &	get_system () const

auto &	get_system ()

Protected Attributes
bool	is_active = false

std::shared_ptr< CoreThermostat >	m_handle

std::weak_ptr< bool >	m_edit_lock
	Basic lock mechanism that follows RAII.

Protected Attributes inherited from ScriptInterface::System::Leaf
std::weak_ptr<::System::System >	m_system

Private Member Functions
virtual std::shared_ptr< CoreThermostat > &	get_member_handle (::Thermostat::Thermostat &thermostat)=0

virtual std::span< std::string_view const >	get_required_parameters () const =0

Additional Inherited Members
Static Public Member Functions inherited from ScriptInterface::ObjectHandle
static ObjectRef	deserialize (const std::string &state, Context &ctx)
	Make object from serialized state.

Detailed Description

template<typename CoreClass>
class ScriptInterface::Thermostat::Interface< CoreClass >

Definition at line 44 of file script_interface/thermostat/thermostat.hpp.

Member Typedef Documentation

◆ CoreThermostat

template<typename CoreClass >

using ScriptInterface::Thermostat::Interface< CoreClass >::CoreThermostat = CoreClass

Definition at line 48 of file script_interface/thermostat/thermostat.hpp.

Constructor & Destructor Documentation

◆ Interface()

template<typename CoreClass >

ScriptInterface::Thermostat::Interface< CoreClass >::Interface ( )

inline

Definition at line 204 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >::add_parameters(), ScriptInterface::Thermostat::Interface< CoreClass >::check_lock(), ScriptInterface::ObjectHandle::context(), ScriptInterface::Thermostat::Interface< CoreClass >::get_rng_counter(), ScriptInterface::Thermostat::Interface< CoreClass >::get_rng_seed(), ScriptInterface::Thermostat::Interface< CoreClass >::is_active, ScriptInterface::is_none(), ScriptInterface::Thermostat::Interface< CoreClass >::m_handle, ScriptInterface::Context::parallel_try_catch(), ScriptInterface::AutoParameter::read_only, ScriptInterface::Thermostat::Interface< CoreClass >::set_rng_counter(), and ScriptInterface::Thermostat::Interface< CoreClass >::set_rng_seed().

Member Function Documentation

◆ check_lock()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::check_lock ( )

inlineprotected

Definition at line 64 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_edit_lock.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::Interface(), ScriptInterface::Thermostat::Interface< CoreClass >::make_autogamma(), and ScriptInterface::Thermostat::Interface< CoreClass >::make_autoparameter().

◆ do_call_method()

template<typename CoreClass >

Variant ScriptInterface::Thermostat::Interface< CoreClass >::do_call_method	(	std::string const &	name,
		VariantMap const &	params
	)

inlineoverrideprotectedvirtual

Reimplemented from ScriptInterface::ObjectHandle.

Definition at line 193 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::ObjectHandle::name(), params, and ScriptInterface::Thermostat::Interface< CoreClass >::set_rng_counter().

◆ do_construct()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::do_construct ( VariantMap const & params )

inlineoverridevirtual

Reimplemented from ScriptInterface::ObjectHandle.

Definition at line 280 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle, params, and ScriptInterface::Thermostat::Interface< CoreClass >::release_lock().

◆ extend_parameters()

template<typename CoreClass >

virtual VariantMap ScriptInterface::Thermostat::Interface< CoreClass >::extend_parameters ( VariantMap const & parameters ) const

inlineprotectedvirtual

Reimplemented in ScriptInterface::Thermostat::Langevin, and ScriptInterface::Thermostat::Brownian.

Definition at line 181 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >::get_parameter(), ScriptInterface::Thermostat::Interface< CoreClass >::is_seed_required(), and params.

Referenced by ScriptInterface::Thermostat::Langevin::extend_parameters(), ScriptInterface::Thermostat::Brownian::extend_parameters(), and ScriptInterface::Thermostat::Interface< CoreClass >::update_and_bind().

◆ extract_kT()

template<typename CoreClass >

virtual std::optional< double > ScriptInterface::Thermostat::Interface< CoreClass >::extract_kT ( VariantMap const & params ) const

inlinevirtual

Reimplemented in ScriptInterface::Thermostat::LBThermostat.

Definition at line 231 of file script_interface/thermostat/thermostat.hpp.

References params, and ScriptInterface::Thermostat::Interface< CoreClass >::sanity_checks_positive().

◆ get_member_handle()

template<typename CoreClass >

virtual std::shared_ptr< CoreThermostat > & ScriptInterface::Thermostat::Interface< CoreClass >::get_member_handle ( ::Thermostat::Thermostat & thermostat )

privatepure virtual

Implemented in ScriptInterface::Thermostat::Langevin, ScriptInterface::Thermostat::Brownian, ScriptInterface::Thermostat::IsotropicNpt, ScriptInterface::Thermostat::LBThermostat, ScriptInterface::Thermostat::DPDThermostat, ScriptInterface::Thermostat::Stokesian, and ScriptInterface::Thermostat::ThermalizedBond.

References ScriptInterface::ObjectHandle::context(), ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >::do_set_parameter(), ScriptInterface::AutoParameters< Interface< CoreClass >, System::Leaf >::get_parameter_insertion_order(), ScriptInterface::Thermostat::Interface< CoreClass >::invalid_rng_state(), ScriptInterface::Thermostat::Interface< CoreClass >::is_active, ScriptInterface::Context::parallel_try_catch(), and params.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::on_bind_system(), and ScriptInterface::Thermostat::Interface< CoreClass >::on_detach_system().

◆ get_required_parameters()

template<typename CoreClass >

virtual std::span< std::string_view const > ScriptInterface::Thermostat::Interface< CoreClass >::get_required_parameters ( ) const

privatepure virtual

Implemented in ScriptInterface::Thermostat::Langevin, ScriptInterface::Thermostat::Brownian, ScriptInterface::Thermostat::IsotropicNpt, ScriptInterface::Thermostat::LBThermostat, ScriptInterface::Thermostat::DPDThermostat, ScriptInterface::Thermostat::Stokesian, and ScriptInterface::Thermostat::ThermalizedBond.

References ScriptInterface::Thermostat::Interface< CoreClass >::get_required_parameters(), ScriptInterface::ObjectHandle::name(), and params.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::get_required_parameters().

◆ get_rng_counter()

template<typename CoreClass >

auto ScriptInterface::Thermostat::Interface< CoreClass >::get_rng_counter ( ) const

inline

Definition at line 256 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::Interface().

◆ get_rng_seed()

template<typename CoreClass >

auto ScriptInterface::Thermostat::Interface< CoreClass >::get_rng_seed ( ) const

inline

Definition at line 250 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::Interface().

◆ get_thermo_flag()

template<typename CoreClass >

virtual ::ThermostatFlags ScriptInterface::Thermostat::Interface< CoreClass >::get_thermo_flag ( ) const

pure virtual

Implemented in ScriptInterface::Thermostat::Langevin, ScriptInterface::Thermostat::Brownian, ScriptInterface::Thermostat::IsotropicNpt, ScriptInterface::Thermostat::LBThermostat, ScriptInterface::Thermostat::DPDThermostat, ScriptInterface::Thermostat::Stokesian, and ScriptInterface::Thermostat::ThermalizedBond.

◆ invalid_rng_state()

template<typename CoreClass >

virtual bool ScriptInterface::Thermostat::Interface< CoreClass >::invalid_rng_state ( VariantMap const & params ) const

inlineprotectedvirtual

Reimplemented in ScriptInterface::Thermostat::LBThermostat.

Definition at line 95 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::is_none(), ScriptInterface::Thermostat::Interface< CoreClass >::is_seed_required(), and params.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::get_member_handle().

◆ is_activated()

template<typename CoreClass >

auto ScriptInterface::Thermostat::Interface< CoreClass >::is_activated ( ) const

inline

Definition at line 246 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::is_active.

◆ is_seed_required()

template<typename CoreClass >

virtual bool ScriptInterface::Thermostat::Interface< CoreClass >::is_seed_required ( ) const

inlinevirtual

Definition at line 248 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::extend_parameters(), and ScriptInterface::Thermostat::Interface< CoreClass >::invalid_rng_state().

◆ make_autogamma()

template<typename CoreClass >

template<typename T >

auto ScriptInterface::Thermostat::Interface< CoreClass >::make_autogamma	(	T CoreThermostat::*	member,
		char const *	name
	)

inlineprotected

Definition at line 151 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::check_lock(), ScriptInterface::ObjectHandle::context(), Thermostat::gamma_null, ScriptInterface::is_none(), ScriptInterface::Thermostat::Interface< CoreClass >::m_handle, ScriptInterface::ObjectHandle::name(), ScriptInterface::Context::parallel_try_catch(), and ScriptInterface::Thermostat::Interface< CoreClass >::sanity_checks_positive().

◆ make_autoparameter()

template<typename CoreClass >

template<typename T >

auto ScriptInterface::Thermostat::Interface< CoreClass >::make_autoparameter	(	T CoreThermostat::*	member,
		char const *	name
	)

inlineprotected

Definition at line 137 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::check_lock(), ScriptInterface::ObjectHandle::context(), ScriptInterface::Thermostat::Interface< CoreClass >::m_handle, ScriptInterface::ObjectHandle::name(), ScriptInterface::Context::parallel_try_catch(), and ScriptInterface::Thermostat::Interface< CoreClass >::sanity_checks_positive().

◆ on_bind_system()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::on_bind_system ( ::System::System & system )

inlineoverrideprotectedvirtual

Reimplemented from ScriptInterface::System::Leaf.

Definition at line 70 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::get_member_handle(), ScriptInterface::Thermostat::Interface< CoreClass >::is_active, ScriptInterface::Thermostat::Interface< CoreClass >::m_handle, System::System::on_thermostat_param_change(), and System::System::thermostat.

◆ on_detach_system()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::on_detach_system ( ::System::System & system )

inlineoverrideprotectedvirtual

Reimplemented from ScriptInterface::System::Leaf.

Definition at line 76 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::get_member_handle(), ScriptInterface::Thermostat::Interface< CoreClass >::is_active, System::System::on_thermostat_param_change(), and System::System::thermostat.

◆ release_lock()

template<typename CoreClass >

auto ScriptInterface::Thermostat::Interface< CoreClass >::release_lock ( )

inline

Definition at line 240 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_edit_lock.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::do_construct().

◆ sanity_checks_positive() [1/2]

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::sanity_checks_positive	(	double	value,
		std::string const &	name
	)		const

inlineprotected

Definition at line 82 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::ObjectHandle::name().

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::extract_kT(), ScriptInterface::Thermostat::Interface< CoreClass >::make_autogamma(), and ScriptInterface::Thermostat::Interface< CoreClass >::make_autoparameter().

◆ sanity_checks_positive() [2/2]

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::sanity_checks_positive	(	Utils::Vector3d const &	value,
		std::string const &	name
	)		const

inlineprotected

Definition at line 88 of file script_interface/thermostat/thermostat.hpp.

References Utils::Vector< T, N >::broadcast(), and ScriptInterface::ObjectHandle::name().

◆ set_rng_counter()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::set_rng_counter ( Variant const & value )

inline

Definition at line 272 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::do_call_method(), and ScriptInterface::Thermostat::Interface< CoreClass >::Interface().

◆ set_rng_seed()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::set_rng_seed ( Variant const & value )

inline

Definition at line 262 of file script_interface/thermostat/thermostat.hpp.

References ScriptInterface::Thermostat::Interface< CoreClass >::m_handle.

Referenced by ScriptInterface::Thermostat::Interface< CoreClass >::Interface().

◆ update_and_bind()

template<typename CoreClass >

void ScriptInterface::Thermostat::Interface< CoreClass >::update_and_bind	(	VariantMap const &	params,
		bool	was_active,
		std::shared_ptr<::System::System >	system
	)