core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator Class Reference

#include <InterfaceDeltaEnergeticsCalculator.hh>

Inheritance diagram for core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator:

Collaboration diagram for core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator:

List of all members.

Public Member Functions
	InterfaceDeltaEnergeticsCalculator (std::string const &NameOfInterfaceNeighborDefinitionCalculator)
	InterfaceDeltaEnergeticsCalculator (core::Size const chain1_number, core::Size const chain2_number)
	InterfaceDeltaEnergeticsCalculator (char const chain1_letter, char const chain2_letter)
core::pose::metrics::PoseMetricCalculatorOP	clone () const
Protected Member Functions
virtual void	lookup (std::string const &key, basic::MetricValueBase *valptr) const
virtual std::string	print (std::string const &key) const
virtual void	recompute (core::pose::Pose const &this_pose)

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Constructor & Destructor Documentation

core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator

(

std::string const &

NameOfInterfaceNeighborDefinitionCalculator

)

References core::pose::metrics::CalculatorFactory::Instance().

Referenced by clone().

core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator	(	core::Size const	chain1_number,
		core::Size const	chain2_number
	)

References core::pose::metrics::CalculatorFactory::Instance(), and core::pose::metrics::CalculatorFactory::register_calculator().

core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator	(	char const	chain1_letter,
		char const	chain2_letter
	)

References core::pose::metrics::CalculatorFactory::Instance(), and core::pose::metrics::CalculatorFactory::register_calculator().

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Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::clone

(

)

const [inline, virtual]

Implements core::pose::metrics::PoseMetricCalculator.

References InterfaceDeltaEnergeticsCalculator().

void core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::lookup	(	std::string const &	key,
		basic::MetricValueBase *	valptr
	)		const [protected, virtual]

Implements core::pose::metrics::EnergyDependentCalculator.

References core::scoring::ScoreTypeManager::score_type_from_name().

std::string core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::print

(

std::string const &

key

)

const [protected, virtual]

Implements core::pose::metrics::EnergyDependentCalculator.

References core::scoring::ScoreTypeManager::score_type_from_name().

void core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::recompute

(

core::pose::Pose const &

this_pose

)

[protected, virtual]

Implements core::pose::metrics::EnergyDependentCalculator.

References core::scoring::EMapVector::clear(), core::scoring::EMapVector::dot(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::scoring::EnergyEdge::fill_energy_map(), core::graph::Edge::get_second_node_ind(), core::scoring::Energies::long_range_container(), core::pose::Pose::metric(), core::scoring::methods::n_long_range_types, and core::scoring::Energies::weights().

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

• src/core/pose/metrics/simple_calculators/InterfaceDeltaEnergeticsCalculator.hh
• src/core/pose/metrics/simple_calculators/InterfaceDeltaEnergeticsCalculator.cc