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

#include <MolecularSurfaceCalculator.hh>

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

Collaboration 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	density
int	atten
int	access
std::vector< Atom * >	neighbors
std::vector< Atom * >	buried

Friends
class	ShapeComplementarityCalculator

Detailed Description

Definition at line 125 of file MolecularSurfaceCalculator.hh.

Constructor & Destructor Documentation

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

(

)

Definition at line 1277 of file MolecularSurfaceCalculator.cc.

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

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

(

)

Definition at line 1291 of file MolecularSurfaceCalculator.cc.

Member Function Documentation

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

inline

Definition at line 165 of file MolecularSurfaceCalculator.hh.

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

inline

Definition at line 157 of file MolecularSurfaceCalculator.hh.

Friends And Related Function Documentation

friend class ShapeComplementarityCalculator

friend

Definition at line 138 of file MolecularSurfaceCalculator.hh.

Member Data Documentation

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

Definition at line 149 of file MolecularSurfaceCalculator.hh.

Referenced by core::scoring::sc::MolecularSurfaceCalculator::add_atom(), 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]

Definition at line 135 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 148 of file MolecularSurfaceCalculator.hh.

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

Definition at line 151 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 146 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 140 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 133 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 150 of file MolecularSurfaceCalculator.hh.

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

Definition at line 134 of file MolecularSurfaceCalculator.hh.

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

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

Definition at line 145 of file MolecularSurfaceCalculator.hh.

Referenced by 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]

Definition at line 136 of file MolecularSurfaceCalculator.hh.

Referenced by core::scoring::sc::MolecularSurfaceCalculator::add_atom(), 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