protocols::protein_interface_design::ReportPSSMDifferences Class Reference

#include <ReportPSSMDifference.hh>

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

Public Member Functions
	ReportPSSMDifferences ()
	ReportPSSMDifferences (ReportPSSMDifferences const &init)
core::Real	calculate (Pose const &pose1, Pose const &pose2, core::pack::task::PackerTaskCOP const &task)
std::map< core::Size, std::string > const &	res_name1 () const
utility::vector1< std::pair < core::chemical::AA, utility::vector1< Real > > > const &	pssm_ () const
bool	load_pssm_data (std::string const &native_filename)
virtual	~ReportPSSMDifferences ()=default

Private Attributes
std::map< core::Size, std::string >	res_name1_
utility::vector1< std::pair < core::chemical::AA, utility::vector1< Real > > >	pssm_data_

Member Typedef Documentation

typedef core::pose::Pose protocols::protein_interface_design::ReportPSSMDifferences::Pose

typedef core::Real protocols::protein_interface_design::ReportPSSMDifferences::Real

typedef core::Size protocols::protein_interface_design::ReportPSSMDifferences::Size

Constructor & Destructor Documentation

protocols::protein_interface_design::ReportPSSMDifferences::ReportPSSMDifferences ( )

inline

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

inline

virtual protocols::protein_interface_design::ReportPSSMDifferences::~ReportPSSMDifferences ( )

virtualdefault

Member Function Documentation

core::Real protocols::protein_interface_design::ReportPSSMDifferences::calculate	(	Pose const &	pose1,
		Pose const &	pose2,
		core::pack::task::PackerTaskCOP const &	task
	)

References core::conformation::Residue::aa(), core::conformation::Residue::is_protein(), core::pose::Pose::residue(), core::pose::Pose::size(), and protocols::protein_interface_design::TR().

Referenced by protocols::protein_interface_design::movers::InterfaceRecapitulationMover::apply().

bool protocols::protein_interface_design::ReportPSSMDifferences::load_pssm_data

(

std::string const &

native_filename

)

References protocols::cluster::calibur::aa, core::chemical::aa_from_oneletter_code(), core::chemical::num_canonical_aas, pssm_data_, core::simple_metrics::metrics::sum, and protocols::protein_interface_design::TR().

Referenced by protocols::protein_interface_design::movers::InterfaceRecapitulationMover::apply().

utility::vector1< std::pair< core::chemical::AA, utility::vector1< Real > > > const& protocols::protein_interface_design::ReportPSSMDifferences::pssm_ ( ) const

inline

References pssm_data_.

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

inline

References res_name1_.

Member Data Documentation

utility::vector1< std::pair< core::chemical::AA, utility::vector1< Real > > > protocols::protein_interface_design::ReportPSSMDifferences::pssm_data_

private

Referenced by load_pssm_data(), and pssm_().

std::map< core::Size, std::string > protocols::protein_interface_design::ReportPSSMDifferences::res_name1_

private

Referenced by res_name1().

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

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