protocols::protein_interface_design::ReportSequenceDifferences Class Reference

#include <design_utils.hh>

Collaboration diagram for protocols::protein_interface_design::ReportSequenceDifferences:

Public Types
typedef core::Size	Size
typedef core::Real	Real
typedef core::pose::Pose	Pose

Public Member Functions
	ReportSequenceDifferences (core::scoring::ScoreFunctionOP scorefxn)
	ReportSequenceDifferences (ReportSequenceDifferences const &init)
void	calculate (Pose const &pose1, Pose const &pose2)
std::map< Size, Real > const *	get_res_energy (Size const num) const
void	report (std::ostream &out) const
std::map< Size, std::string > const &	res_name1 () const
std::map< Size, std::string > const &	res_name2 () const
virtual	~ReportSequenceDifferences ()

Private Attributes
std::map< Size, Real >	res_energy1_
std::map< Size, Real >	res_energy2_
std::map< Size, std::string >	res_name1_
std::map< Size, std::string >	res_name2_
core::scoring::ScoreFunctionOP	scorefxn_

Detailed Description

Class ReportSequenceDifferences takes in two poses and provides information on the sequence changes between them, including the residue energies associated with those changes.

Member Typedef Documentation

typedef core::pose::Pose protocols::protein_interface_design::ReportSequenceDifferences::Pose

typedef core::Real protocols::protein_interface_design::ReportSequenceDifferences::Real

typedef core::Size protocols::protein_interface_design::ReportSequenceDifferences::Size

Constructor & Destructor Documentation

protocols::protein_interface_design::ReportSequenceDifferences::ReportSequenceDifferences ( core::scoring::ScoreFunctionOP  scorefxn)

inline

References scorefxn_.

protocols::protein_interface_design::ReportSequenceDifferences::ReportSequenceDifferences ( ReportSequenceDifferences const &  init)

inline

References res_energy1_, res_energy2_, res_name1_, res_name2_, and scorefxn_.

virtual protocols::protein_interface_design::ReportSequenceDifferences::~ReportSequenceDifferences ( )

inlinevirtual

Member Function Documentation

void ReportSequenceDifferences::calculate	(	pose::Pose const &	pose1_in,
		pose::Pose const &	pose2_in
	)

References core::conformation::Residue::aa(), core::conformation::Residue::is_protein(), core::conformation::Residue::name3(), core::pose::Pose::residue(), protocols::protein_interface_design::sum_total_residue_energy(), and core::pose::Pose::total_residue().

Referenced by protocols::protein_interface_design::movers::InterfaceRecapitulationMover::apply(), and protocols::protein_interface_design::filters::SequenceRecoveryFilter::compute().

std::map< Size, Real> const* protocols::protein_interface_design::ReportSequenceDifferences::get_res_energy ( Size const  num) const

inline

References res_energy1_, and res_energy2_.

void ReportSequenceDifferences::report

(

std::ostream &

out)

const

References core::TR().

Referenced by protocols::protein_interface_design::filters::SequenceRecoveryFilter::compute().

std::map< Size, std::string > const& protocols::protein_interface_design::ReportSequenceDifferences::res_name1 ( ) const

inline

References res_name1_.

Referenced by protocols::protein_interface_design::movers::InterfaceRecapitulationMover::apply(), and protocols::protein_interface_design::filters::SequenceRecoveryFilter::compute().

std::map< Size, std::string > const& protocols::protein_interface_design::ReportSequenceDifferences::res_name2 ( ) const

inline

References res_name2_.

Referenced by protocols::protein_interface_design::filters::SequenceRecoveryFilter::compute().

Member Data Documentation

std::map< Size, Real > protocols::protein_interface_design::ReportSequenceDifferences::res_energy1_

private

Referenced by get_res_energy(), and ReportSequenceDifferences().

std::map< Size, Real > protocols::protein_interface_design::ReportSequenceDifferences::res_energy2_

private

Referenced by get_res_energy(), and ReportSequenceDifferences().

std::map< Size, std::string > protocols::protein_interface_design::ReportSequenceDifferences::res_name1_

private

Referenced by ReportSequenceDifferences(), and res_name1().

std::map< Size, std::string > protocols::protein_interface_design::ReportSequenceDifferences::res_name2_

private

Referenced by ReportSequenceDifferences(), and res_name2().

core::scoring::ScoreFunctionOP protocols::protein_interface_design::ReportSequenceDifferences::scorefxn_

private

Referenced by ReportSequenceDifferences().

---

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

• src/protocols/protein_interface_design/design_utils.hh
• src/protocols/protein_interface_design/design_utils.cc