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Public Member Functions | Private Attributes | List of all members
protocols::simple_moves::IonizableResidue Class Reference

#include <ReportEffectivePKA.hh>

Public Member Functions

 IonizableResidue (std::string resname, core::Real ref_pKa, core::Real acid_base)
 
void add_neutral_restype (std::string restype)
 
void add_ionized_restype (std::string restype)
 
core::Real ref_pKa ()
 
core::Real acid_base_coefficient ()
 
utility::vector1< std::string > & neutral_restypes ()
 
utility::vector1< std::string > & ionized_restypes ()
 
std::string name3 ()
 

Private Attributes

std::string resname_
 
utility::vector1< std::string > neutral_restype_
 
utility::vector1< std::string > ionized_restype_
 
core::Real ref_pKa_
 
core::Real acid_base_
 

Constructor & Destructor Documentation

protocols::simple_moves::IonizableResidue::IonizableResidue ( std::string  resname,
core::Real  ref_pKa,
core::Real  acid_base 
)
inline

References acid_base_, ref_pKa(), ref_pKa_, and resname_.

Member Function Documentation

core::Real protocols::simple_moves::IonizableResidue::acid_base_coefficient ( )
inline

References acid_base_.

void protocols::simple_moves::IonizableResidue::add_ionized_restype ( std::string  restype)
inline
void protocols::simple_moves::IonizableResidue::add_neutral_restype ( std::string  restype)
inline
utility::vector1< std::string >& protocols::simple_moves::IonizableResidue::ionized_restypes ( )
inline

References ionized_restype_.

std::string protocols::simple_moves::IonizableResidue::name3 ( )
inline

References resname_.

utility::vector1< std::string >& protocols::simple_moves::IonizableResidue::neutral_restypes ( )
inline

References neutral_restype_.

core::Real protocols::simple_moves::IonizableResidue::ref_pKa ( )
inline

References ref_pKa_.

Referenced by IonizableResidue().

Member Data Documentation

core::Real protocols::simple_moves::IonizableResidue::acid_base_
private
utility::vector1<std::string> protocols::simple_moves::IonizableResidue::ionized_restype_
private
utility::vector1<std::string> protocols::simple_moves::IonizableResidue::neutral_restype_
private
core::Real protocols::simple_moves::IonizableResidue::ref_pKa_
private

Referenced by IonizableResidue(), and ref_pKa().

std::string protocols::simple_moves::IonizableResidue::resname_
private

Referenced by IonizableResidue(), and name3().


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