ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <ReactionAlgorithm.hpp>
Protected Member Functions | |
int | get_reaction_index (int reaction_id) const |
Check reaction id is within the reaction container bounds. | |
virtual double | calculate_factorial_expression (::ReactionMethods::SingleReaction const &reaction, std::unordered_map< int, int > const &particle_numbers) const |
Protected Member Functions inherited from ScriptInterface::AutoParameters< ReactionAlgorithm > | |
AutoParameters ()=default | |
AutoParameters (std::vector< AutoParameter > &¶ms) | |
void | add_parameters (std::vector< AutoParameter > &¶ms) |
auto const & | get_parameter_insertion_order () const |
Protected Attributes | |
std::vector< std::shared_ptr< SingleReaction > > | m_reactions |
Keep track of the script interface pointer of each reaction. | |
Private Member Functions | |
std::string | get_internal_state () const override |
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 40 of file script_interface/reaction_methods/ReactionAlgorithm.hpp.
ScriptInterface::ReactionMethods::ReactionAlgorithm::ReactionAlgorithm | ( | ) |
Definition at line 50 of file script_interface/reaction_methods/ReactionAlgorithm.cpp.
References ScriptInterface::AutoParameters< ReactionAlgorithm >::add_parameters(), ScriptInterface::ObjectHandle::context(), ScriptInterface::get_value(), m_reactions, ScriptInterface::make_unordered_map_of_variants(), ScriptInterface::Context::parallel_try_catch(), RE(), and ScriptInterface::AutoParameter::read_only.
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inlineprotectedvirtual |
Reimplemented in ScriptInterface::ReactionMethods::ConstantpHEnsemble.
Definition at line 72 of file script_interface/reaction_methods/ReactionAlgorithm.hpp.
References ScriptInterface::get_value().
Referenced by do_call_method().
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overridevirtual |
Reimplemented from ScriptInterface::ObjectHandle.
Reimplemented in ScriptInterface::ReactionMethods::WidomInsertion.
Definition at line 105 of file script_interface/reaction_methods/ReactionAlgorithm.cpp.
References calculate_factorial_expression(), ScriptInterface::ObjectHandle::context(), get_reaction_index(), ScriptInterface::get_value(), init_type_map(), ScriptInterface::Context::is_head_node(), m_reactions, ScriptInterface::ObjectHandle::name(), ScriptInterface::Context::parallel_try_catch(), params, and RE().
Referenced by ScriptInterface::ReactionMethods::WidomInsertion::do_call_method().
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inlineoverrideprivatevirtual |
Reimplemented from ScriptInterface::ObjectHandle.
Definition at line 85 of file script_interface/reaction_methods/ReactionAlgorithm.hpp.
References ScriptInterface::get_value(), and RE().
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inlineprotected |
Check reaction id is within the reaction container bounds.
Since each reaction has a corresponding backward reaction, the total number of reactions is doubled. Return the corresponding index for ReactionAlgorithm::m_reactions.
Definition at line 50 of file script_interface/reaction_methods/ReactionAlgorithm.hpp.
References ScriptInterface::ObjectHandle::context(), ScriptInterface::get_value(), m_reactions, and ScriptInterface::Context::parallel_try_catch().
Referenced by do_call_method(), and ScriptInterface::ReactionMethods::WidomInsertion::do_call_method().
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pure virtual |
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pure virtual |
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protected |
Keep track of the script interface pointer of each reaction.
Definition at line 43 of file script_interface/reaction_methods/ReactionAlgorithm.hpp.
Referenced by do_call_method(), get_reaction_index(), and ReactionAlgorithm().