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protocols::protein_interface_design::ReportSequenceDifferences Class Reference

#include <design_utils.hh>

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< core::Size, Real >
const * 
get_res_energy (core::Size const num) const
 
void report (std::ostream &out) const
 
std::map< core::Size,
std::string > const & 
res_name1 () const
 
std::map< core::Size,
std::string > const & 
res_name2 () const
 
virtual ~ReportSequenceDifferences ()=default
 

Private Attributes

std::map< core::Size, Realres_energy1_
 
std::map< core::Size, Realres_energy2_
 
std::map< core::Size, std::string > res_name1_
 
std::map< core::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

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

Member Function Documentation

void protocols::protein_interface_design::ReportSequenceDifferences::calculate ( pose::Pose const &  pose1_in,
pose::Pose const &  pose2_in 
)
std::map< core::Size, Real> const* protocols::protein_interface_design::ReportSequenceDifferences::get_res_energy ( core::Size const  num) const
inline

References res_energy1_, and res_energy2_.

void protocols::protein_interface_design::ReportSequenceDifferences::report ( std::ostream &  out) const
std::map< core::Size, std::string > const& protocols::protein_interface_design::ReportSequenceDifferences::res_name1 ( ) const
inline
std::map< core::Size, std::string > const& protocols::protein_interface_design::ReportSequenceDifferences::res_name2 ( ) const
inline

Member Data Documentation

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

Referenced by get_res_energy().

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

Referenced by get_res_energy().

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

Referenced by res_name1().

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

Referenced by res_name2().

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

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