ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <NonBondedInteraction.hpp>
Public Types | |
using | CoreInteraction = CoreIA |
Protected Types | |
using | BaseClass = AutoParameters< InteractionPotentialInterface< CoreIA > > |
Protected Member Functions | |
virtual CoreInteraction IA_parameters::* | get_ptr_offset () const =0 |
Pointer to the corresponding member in a handle. | |
virtual void | make_new_instance (VariantMap const ¶ms)=0 |
Create a new instance using the constructor with range checks. | |
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. | |
template<typename T > | |
auto | make_autoparameter (T CoreInteraction::*ptr, char const *name) |
Protected Member Functions inherited from ScriptInterface::AutoParameters< InteractionPotentialInterface< CoreIA > > | |
AutoParameters ()=default | |
AutoParameters (std::vector< AutoParameter > &¶ms) | |
void | add_parameters (std::vector< AutoParameter > &¶ms) |
auto const & | get_parameter_insertion_order () const |
Protected Attributes | |
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. | |
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. | |
Definition at line 51 of file NonBondedInteraction.hpp.
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protected |
Definition at line 57 of file NonBondedInteraction.hpp.
using ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::CoreInteraction = CoreIA |
Definition at line 54 of file NonBondedInteraction.hpp.
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inline |
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inlineoverridevirtual |
Reimplemented from ScriptInterface::ObjectHandle.
Reimplemented in ScriptInterface::Interactions::InteractionWCA, and ScriptInterface::Interactions::InteractionTabulated.
Definition at line 101 of file NonBondedInteraction.hpp.
References ScriptInterface::ObjectHandle::context(), ScriptInterface::get_value(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::m_handle, ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::make_new_instance(), ScriptInterface::ObjectHandle::name(), ScriptInterface::Context::parallel_try_catch(), params, and ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::update_core().
Referenced by ScriptInterface::Interactions::InteractionWCA::do_call_method(), ScriptInterface::Interactions::InteractionLJcos2::do_call_method(), and ScriptInterface::Interactions::InteractionTabulated::do_call_method().
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inlinefinalvirtual |
Reimplemented from ScriptInterface::ObjectHandle.
Definition at line 121 of file NonBondedInteraction.hpp.
References ScriptInterface::ObjectHandle::context(), ScriptInterface::get_value(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::inactive_cutoff(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::inactive_parameter(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::m_handle, ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::make_new_instance(), ScriptInterface::Context::parallel_try_catch(), and params.
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protectedpure virtual |
Pointer to the corresponding member in a handle.
Implemented in ScriptInterface::Interactions::InteractionWCA, ScriptInterface::Interactions::InteractionLJ, ScriptInterface::Interactions::InteractionLJGen, ScriptInterface::Interactions::InteractionLJcos, ScriptInterface::Interactions::InteractionLJcos2, ScriptInterface::Interactions::InteractionHertzian, ScriptInterface::Interactions::InteractionGaussian, ScriptInterface::Interactions::InteractionBMHTF, ScriptInterface::Interactions::InteractionMorse, ScriptInterface::Interactions::InteractionBuckingham, ScriptInterface::Interactions::InteractionSoftSphere, ScriptInterface::Interactions::InteractionHat, ScriptInterface::Interactions::InteractionGayBerne, ScriptInterface::Interactions::InteractionTabulated, ScriptInterface::Interactions::InteractionDPD, ScriptInterface::Interactions::InteractionThole, and ScriptInterface::Interactions::InteractionSmoothStep.
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inlineprotectedvirtual |
Which magic value indicates the potential is inactive.
Reimplemented in ScriptInterface::Interactions::InteractionWCA, ScriptInterface::Interactions::InteractionLJcos2, and ScriptInterface::Interactions::InteractionThole.
Definition at line 76 of file NonBondedInteraction.hpp.
References INACTIVE_CUTOFF.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_construct().
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inlineprotectedvirtual |
Which parameter indicates whether the potential is inactive.
Reimplemented in ScriptInterface::Interactions::InteractionWCA, ScriptInterface::Interactions::InteractionLJcos2, ScriptInterface::Interactions::InteractionHertzian, ScriptInterface::Interactions::InteractionGayBerne, ScriptInterface::Interactions::InteractionTabulated, ScriptInterface::Interactions::InteractionDPD, and ScriptInterface::Interactions::InteractionThole.
Definition at line 74 of file NonBondedInteraction.hpp.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_construct().
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inlineprotected |
Definition at line 79 of file NonBondedInteraction.hpp.
References ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::m_handle, ScriptInterface::ObjectHandle::name(), and ScriptInterface::AutoParameter::read_only.
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protectedpure virtual |
Create a new instance using the constructor with range checks.
Implemented in ScriptInterface::Interactions::InteractionWCA, ScriptInterface::Interactions::InteractionLJ, ScriptInterface::Interactions::InteractionLJGen, ScriptInterface::Interactions::InteractionLJcos, ScriptInterface::Interactions::InteractionLJcos2, ScriptInterface::Interactions::InteractionHertzian, ScriptInterface::Interactions::InteractionGaussian, ScriptInterface::Interactions::InteractionBMHTF, ScriptInterface::Interactions::InteractionMorse, ScriptInterface::Interactions::InteractionBuckingham, ScriptInterface::Interactions::InteractionSoftSphere, ScriptInterface::Interactions::InteractionHat, ScriptInterface::Interactions::InteractionGayBerne, ScriptInterface::Interactions::InteractionTabulated, ScriptInterface::Interactions::InteractionDPD, ScriptInterface::Interactions::InteractionThole, and ScriptInterface::Interactions::InteractionSmoothStep.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_call_method(), and ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_construct().
void ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::update_core | ( | bool | notify = true | ) |
Definition at line 893 of file NonBondedInteraction.hpp.
References ScriptInterface::get_value().
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_call_method().
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protected |
Handle to the container whose members have to be synchronized.
Definition at line 64 of file NonBondedInteraction.hpp.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::attach().
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protected |
Managed object.
Definition at line 62 of file NonBondedInteraction.hpp.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_call_method(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_construct(), and ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::make_autoparameter().
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protected |
Callback to notify changes to the interaction range.
Definition at line 68 of file NonBondedInteraction.hpp.
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protected |
Handle to the interface used to synchronize data members.
Definition at line 66 of file NonBondedInteraction.hpp.
Referenced by ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::attach().