core::scoring::sc::Atom Class Reference

#include <MolecularSurfaceCalculator.hh>

Inheritance diagram for core::scoring::sc::Atom:

Public Member Functions
	Atom ()
	~Atom ()
int	operator== (Atom const &atom2)
int	operator<= (Atom &atom2)

Public Attributes
core::Size	natom
core::Size	nresidue
char	atom [4]
char	residue [4]
core::Size	molecule
float	radius
float	atom_type_radius
float	density
int	atten
int	access
std::vector< Atom * >	neighbors
std::vector< Atom * >	buried

Friends
class	ShapeComplementarityCalculator

Constructor & Destructor Documentation

core::scoring::sc::Atom::Atom

(

)

References access, atom_type_radius, atten, density, natom, nresidue, radius, and residue.

core::scoring::sc::Atom::~Atom ( )

default

Member Function Documentation

int core::scoring::sc::Atom::operator<= ( Atom &  atom2 )

inline

int core::scoring::sc::Atom::operator== ( Atom const &  atom2 )

inline

Friends And Related Function Documentation

friend class ShapeComplementarityCalculator

friend

Member Data Documentation

int core::scoring::sc::Atom::access

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), Atom(), core::scoring::sc::MolecularSurfaceCalculator::CalcDotsForAllAtoms(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface(), core::scoring::sc::MolecularSurfaceCalculator::SecondLoop(), and core::scoring::sc::MolecularSurfaceCalculator::ThirdLoop().

char core::scoring::sc::Atom::atom[4]

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), core::scoring::sc::MolecularSurfaceCalculator::AddResidue(), core::scoring::sc::MolecularSurfaceCalculator::AssignAtomRadius(), and core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom().

float core::scoring::sc::Atom::atom_type_radius

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddResidue(), core::scoring::sc::MolecularSurfaceCalculator::AssignAtomRadius(), and Atom().

int core::scoring::sc::Atom::atten

Referenced by Atom(), core::scoring::sc::MolecularSurfaceCalculator::CalcDotsForAllAtoms(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface(), core::scoring::sc::MolecularSurfaceCalculator::SecondLoop(), and core::scoring::sc::MolecularSurfaceCalculator::ThirdLoop().

std::vector<Atom*> core::scoring::sc::Atom::buried

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddDot(), core::scoring::sc::MolecularSurfaceCalculator::CalcDotsForAllAtoms(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), and core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface().

float core::scoring::sc::Atom::density

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), Atom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateConvexSurface(), and core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface().

core::Size core::scoring::sc::Atom::molecule

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateConvexSurface(), and core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface().

core::Size core::scoring::sc::Atom::natom

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), Atom(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), and core::scoring::sc::MolecularSurfaceCalculator::GenerateConvexSurface().

std::vector<Atom*> core::scoring::sc::Atom::neighbors

Referenced by core::scoring::sc::MolecularSurfaceCalculator::FindNeighbordsAndBuriedAtoms(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateConvexSurface(), core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface(), core::scoring::sc::MolecularSurfaceCalculator::SecondLoop(), and core::scoring::sc::MolecularSurfaceCalculator::ThirdLoop().

core::Size core::scoring::sc::Atom::nresidue

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddResidue(), and Atom().

float core::scoring::sc::Atom::radius

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), core::scoring::sc::MolecularSurfaceCalculator::AddResidue(), core::scoring::sc::MolecularSurfaceCalculator::AssignAtomRadius(), Atom(), core::scoring::sc::MolecularSurfaceCalculator::CheckAtomCollision2(), core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom(), core::scoring::sc::MolecularSurfaceCalculator::GenerateConvexSurface(), core::scoring::sc::MolecularSurfaceCalculator::GenerateToroidalSurface(), core::scoring::sc::MolecularSurfaceCalculator::SecondLoop(), and core::scoring::sc::MolecularSurfaceCalculator::ThirdLoop().

char core::scoring::sc::Atom::residue[4]

Referenced by core::scoring::sc::MolecularSurfaceCalculator::AddAtom(), core::scoring::sc::MolecularSurfaceCalculator::AddResidue(), core::scoring::sc::MolecularSurfaceCalculator::AssignAtomRadius(), Atom(), and core::scoring::sc::MolecularSurfaceCalculator::FindNeighborsForAtom().

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

• src/core/scoring/sc/MolecularSurfaceCalculator.hh
• src/core/scoring/sc/MolecularSurfaceCalculator.cc