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Public Member Functions | Private Attributes | List of all members
protocols::ligand_docking::ga_ligand_dock::AtomProperties Class Reference

the atom properties important in constraint generation More...

#include <LigandAligner.hh>

Public Member Functions

 AtomProperties ()
 
 AtomProperties (bool donor, bool acceptor, bool H, bool polarH, bool halogen, bool generic, core::Real ambiguity, core::Real score, std::string tag)
 
core::Real match (AtomProperties const &other, core::Real polar_scale, bool halogen_specific) const
 
bool donor () const
 
bool polarH () const
 
bool acceptor () const
 
bool generic () const
 
core::Real score () const
 
void score (core::Real value)
 
core::Real ambiguity () const
 
std::string tag () const
 
std::string show () const
 
bool used_for_phore () const
 

Private Attributes

bool is_donor
 
bool is_acceptor
 
bool is_H
 
bool is_polarH
 
bool is_halogen
 
bool is_generic
 
core::Real ambiguity_
 
core::Real score_
 
std::string tag_
 

Detailed Description

the atom properties important in constraint generation

Constructor & Destructor Documentation

◆ AtomProperties() [1/2]

protocols::ligand_docking::ga_ligand_dock::AtomProperties::AtomProperties ( )
inline

◆ AtomProperties() [2/2]

protocols::ligand_docking::ga_ligand_dock::AtomProperties::AtomProperties ( bool  donor,
bool  acceptor,
bool  H,
bool  polarH,
bool  halogen,
bool  generic,
core::Real  ambiguity,
core::Real  score,
std::string  tag 
)
inline

Member Function Documentation

◆ acceptor()

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::acceptor ( ) const
inline

◆ ambiguity()

core::Real protocols::ligand_docking::ga_ligand_dock::AtomProperties::ambiguity ( ) const
inline

◆ donor()

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::donor ( ) const
inline

◆ generic()

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::generic ( ) const
inline

◆ match()

core::Real protocols::ligand_docking::ga_ligand_dock::AtomProperties::match ( AtomProperties const &  other,
core::Real  polar_scale,
bool  halogen_specific 
) const

◆ polarH()

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::polarH ( ) const
inline

◆ score() [1/2]

core::Real protocols::ligand_docking::ga_ligand_dock::AtomProperties::score ( ) const
inline

◆ score() [2/2]

void protocols::ligand_docking::ga_ligand_dock::AtomProperties::score ( core::Real  value)
inline

◆ show()

std::string protocols::ligand_docking::ga_ligand_dock::AtomProperties::show ( ) const

◆ tag()

std::string protocols::ligand_docking::ga_ligand_dock::AtomProperties::tag ( ) const
inline

◆ used_for_phore()

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::used_for_phore ( ) const
inline

Member Data Documentation

◆ ambiguity_

core::Real protocols::ligand_docking::ga_ligand_dock::AtomProperties::ambiguity_
private

◆ is_acceptor

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_acceptor
private

Referenced by match(), and show().

◆ is_donor

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_donor
private

Referenced by match(), and show().

◆ is_generic

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_generic
private

Referenced by match().

◆ is_H

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_H
private

Referenced by match(), and show().

◆ is_halogen

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_halogen
private

Referenced by match(), and show().

◆ is_polarH

bool protocols::ligand_docking::ga_ligand_dock::AtomProperties::is_polarH
private

Referenced by match(), and show().

◆ score_

core::Real protocols::ligand_docking::ga_ligand_dock::AtomProperties::score_
private

◆ tag_

std::string protocols::ligand_docking::ga_ligand_dock::AtomProperties::tag_
private

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