protocols::ligand_evolution::Crossover Class Reference

Takes two individuals and produces a set amount of offspring using a crossover. More...

#include <Crossover.hh>

Inheritance diagram for protocols::ligand_evolution::Crossover:

Public Member Functions
	Crossover (FragmentLibrary const &library)
utility::vector1< Individual >	apply (utility::vector1< Individual > const &parents, core::Size n_offspring) const override
	Selects randomly two parents to create offspring until n_offspring is available @detail One random parent donates the reaction and both donate minimum one reagent. If they come from different reactions, the alien reagent is mapped to the most similar counterpart. More...
std::string const &	name () const override
	Returns the name of this factory. More...

Private Member Functions
Individual	cross (Individual const &reaction_parent, Individual const &other_parent) const
	Crosses two individuals into one offspring. More...

Private Attributes
FragmentLibrary const &	library_
	Since this function regularly produces offspring and consults a FragmentLibrary for this, it keeps ownership to one. More...
std::string	name_ = "Crossover"

Detailed Description

Takes two individuals and produces a set amount of offspring using a crossover.

Constructor & Destructor Documentation

Crossover()

protocols::ligand_evolution::Crossover::Crossover ( FragmentLibrary const &  library )

explicit

Member Function Documentation

apply()

utility::vector1< Individual > protocols::ligand_evolution::Crossover::apply ( utility::vector1< Individual > const &  parents, core::Size  n_offspring  ) const

overridevirtual

Selects randomly two parents to create offspring until n_offspring is available @detail One random parent donates the reaction and both donate minimum one reagent. If they come from different reactions, the alien reagent is mapped to the most similar counterpart.

Implements protocols::ligand_evolution::OffspringFactory.

References cross(), and protocols::TR().

cross()

Individual protocols::ligand_evolution::Crossover::cross ( Individual const &  reaction_parent, Individual const &  other_parent  ) const

private

Crosses two individuals into one offspring.

References protocols::ligand_evolution::FragmentLibrary::get_similar_reagents(), protocols::ligand_evolution::Individual::id(), protocols::ligand_evolution::Individual::identifier(), library_, protocols::mean_field::min(), protocols::ligand_evolution::FragmentLibrary::reaction_positions(), and protocols::TR().

Referenced by apply().

name()

std::string const & protocols::ligand_evolution::Crossover::name ( ) const

overridevirtual

Returns the name of this factory.

Implements protocols::ligand_evolution::OffspringFactory.

References name_.

Member Data Documentation

library_

FragmentLibrary const& protocols::ligand_evolution::Crossover::library_

private

Since this function regularly produces offspring and consults a FragmentLibrary for this, it keeps ownership to one.

Referenced by cross().

name_

std::string protocols::ligand_evolution::Crossover::name_ = "Crossover"

private

Referenced by name().

---

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

• src/protocols/ligand_evolution/offspring_factory/Crossover.hh
• src/protocols/ligand_evolution/offspring_factory/Crossover.cc