Faunus::Speciation::MolecularGroupDeActivator Class Reference

Helper class to (de)activate a single molecular group. More...

#include <speciation.h>

Inheritance diagram for Faunus::Speciation::MolecularGroupDeActivator:

Collaboration diagram for Faunus::Speciation::MolecularGroupDeActivator:

Public Member Functions
	MolecularGroupDeActivator (Space &spc, Random &random, bool apply_bond_bias)
ChangeAndBias	activate (Group &group, OptionalInt num_particles=std::nullopt) override
	Activates a number of particles in an atomic group. More...
ChangeAndBias	deactivate (Group &group, OptionalInt num_particles=std::nullopt) override

Additional Inherited Members
Public Types inherited from Faunus::Speciation::GroupDeActivator
using	ChangeAndBias = std::pair< Change::GroupChange, double >
	Group change and bias energy.
using	OptionalInt = std::optional< int >

Detailed Description

Helper class to (de)activate a single molecular group.

Activation policy:

• Set random mass center position and orientation
• Apply PBC wrapping
• Bias is set to negative internal bond energy

Deactivation policy:

• Remove PBC before deactivation
• Bias is set to positive internal bond energy

Member Function Documentation

activate()

MolecularGroupDeActivator::ChangeAndBias Faunus::Speciation::MolecularGroupDeActivator::activate ( Group &  group, GroupDeActivator::OptionalInt  num_particles = std::nullopt  )

overridevirtual

Activates a number of particles in an atomic group.

Before calling this, make sure that there's sufficient capacity.

Parameters

group	Group to affect
num_particles	Number of particles to expand with

Implements Faunus::Speciation::GroupDeActivator.

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

• src/speciation.h
• src/speciation.cpp