#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

◆ Atom()

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

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

◆ ~Atom()

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

default

Member Function Documentation

◆ operator<=()

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

inline

◆ operator==()

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

inline

Friends And Related Function Documentation

◆ ShapeComplementarityCalculator

friend class ShapeComplementarityCalculator

friend

Member Data Documentation

◆ access

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().

◆ atom

char core::scoring::sc::Atom::atom[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().

◆ atom_type_radius

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

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

◆ atten

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().

◆ buried

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().

◆ density

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().

◆ molecule

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

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

◆ natom

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().

◆ neighbors

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().

◆ nresidue

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

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

◆ radius

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().

◆ residue

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