ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <NonBondedInteraction.hpp>
Public Member Functions | |
InteractionLJGen () | |
Public Member Functions inherited from ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters > | |
Variant | do_call_method (std::string const &name, VariantMap const ¶ms) override |
void | do_construct (VariantMap const ¶ms) final |
void | attach (std::weak_ptr< NonBondedInteractionHandle * > si_struct, std::weak_ptr<::IA_parameters > core_struct) |
void | update_core (bool notify=true) |
Public Member Functions inherited from ScriptInterface::AutoParameters< Derived, Base > | |
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::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 ¶ms) |
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 ¶ms) |
Call a method on the object. | |
std::string | serialize () const |
Protected Member Functions | |
CoreInteraction IA_parameters::* | get_ptr_offset () const override |
Protected Member Functions inherited from ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters > | |
virtual std::string | inactive_parameter () const |
Which parameter indicates whether the potential is inactive. | |
virtual double | inactive_cutoff () const |
Which magic value indicates the potential is inactive. | |
auto | make_autoparameter (T CoreInteraction::*ptr, char const *name) |
Protected Member Functions inherited from ScriptInterface::AutoParameters< Derived, Base > | |
AutoParameters ()=default | |
AutoParameters (std::vector< AutoParameter > &¶ms) | |
void | add_parameters (std::vector< AutoParameter > &¶ms) |
auto const & | get_parameter_insertion_order () const |
Private Member Functions | |
void | make_new_instance (VariantMap const ¶ms) override |
Additional Inherited Members | |
Public Types inherited from ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters > | |
using | CoreInteraction = ::LJGen_Parameters |
Static Public Member Functions inherited from ScriptInterface::ObjectHandle | |
static ObjectRef | deserialize (const std::string &state, Context &ctx) |
Make object from serialized state. | |
Protected Types inherited from ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters > | |
using | BaseClass = AutoParameters< InteractionPotentialInterface< ::LJGen_Parameters > > |
Protected Attributes inherited from ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters > | |
std::shared_ptr< CoreInteraction > | m_handle |
Managed object. | |
std::weak_ptr<::IA_parameters > | m_core_struct |
Handle to the container whose members have to be synchronized. | |
std::weak_ptr< NonBondedInteractionHandle * > | m_si_struct |
Handle to the interface used to synchronize data members. | |
std::weak_ptr< std::function< void()> > | m_notify_non_bonded_ia_change |
Callback to notify changes to the interaction range. | |
Definition at line 223 of file NonBondedInteraction.hpp.
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inline |
Definition at line 231 of file NonBondedInteraction.hpp.
References LJGen_Parameters::a1, LJGen_Parameters::a2, ScriptInterface::AutoParameters< Derived, Base >::add_parameters(), LJGen_Parameters::b1, LJGen_Parameters::b2, LJGen_Parameters::cut, LJGen_Parameters::eps, LJGen_Parameters::lambda, ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters >::make_autoparameter(), LJGen_Parameters::offset, LJGen_Parameters::shift, LJGen_Parameters::sig, and LJGen_Parameters::softrad.
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inlineoverrideprotectedvirtual |
Implements ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters >.
Definition at line 226 of file NonBondedInteraction.hpp.
References IA_parameters::ljgen.
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inlineoverrideprivatevirtual |
Implements ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters >.
Definition at line 250 of file NonBondedInteraction.hpp.
References ScriptInterface::Interactions::InteractionPotentialInterface<::LJGen_Parameters >::m_handle, ScriptInterface::make_shared_from_args(), params, and LJGen_Parameters::shift.