#include <HBAtom.hh>

Collaboration diagram for core::scoring::hbonds::hbtrie::HBAtom:

Public Member Functions
	HBAtom ()

	~HBAtom ()

Vector const &	xyz () const

void	xyz (Vector const &coord)

Vector const &	base_xyz () const

void	base_xyz (Vector const &xyz)

Vector const &	base2_xyz () const

void	base2_xyz (Vector const &xyz)

HBDonChemType	hb_don_chem_type () const

HBAccChemType	hb_acc_chem_type () const

void	hb_chem_type (int chemtype)

bool	is_hydrogen () const
	property required by RotamerTrie class More...

void	is_hydrogen (bool setting)
	setter method for data required by RotamerTrie class More...

bool	is_backbone () const

void	is_backbone (bool setting)

bool	is_protein () const

void	is_protein (bool setting)

bool	is_dna () const

void	is_dna (bool setting)

void	print () const
	send a description of the atom to standard out More...

void	print (std::ostream &os) const
	send a description of the atom to an output stream More...

bool	operator< (HBAtom const &other) const
	compairison operator for sorting More...

bool	operator== (HBAtom const &other) const
	equality operator for shared-prefix detection More...

bool	non_hbonding_atom () const

Private Attributes
Vector	xyz_

Vector	base_xyz_

Vector	base2_xyz_

bool	is_hydrogen_

bool	is_backbone_

bool	is_protein_

bool	is_dna_

int	hb_chem_type_

Detailed Description

Definition at line 38 of file HBAtom.hh.

Constructor & Destructor Documentation

core::scoring::hbonds::hbtrie::HBAtom::HBAtom ( )

Definition at line 32 of file HBAtom.cc.

core::scoring::hbonds::hbtrie::HBAtom::~HBAtom ( )

Definition at line 44 of file HBAtom.cc.

Member Function Documentation

Vector const& core::scoring::hbonds::hbtrie::HBAtom::base2_xyz ( ) const

inline

Definition at line 52 of file HBAtom.hh.

References base2_xyz_.

Referenced by core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy(), and print().

void core::scoring::hbonds::hbtrie::HBAtom::base2_xyz ( Vector const & xyz)

inline

Definition at line 53 of file HBAtom.hh.

References base2_xyz_, and xyz().

Vector const& core::scoring::hbonds::hbtrie::HBAtom::base_xyz ( ) const

inline

Definition at line 49 of file HBAtom.hh.

References base_xyz_.

Referenced by core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy(), and print().

void core::scoring::hbonds::hbtrie::HBAtom::base_xyz ( Vector const & xyz)

inline

Definition at line 50 of file HBAtom.hh.

References base_xyz_, and xyz().

HBAccChemType core::scoring::hbonds::hbtrie::HBAtom::hb_acc_chem_type ( ) const

inline

Definition at line 56 of file HBAtom.hh.

References hb_chem_type_, and is_hydrogen_.

Referenced by core::scoring::hbonds::hbond_evaluation_type().

void core::scoring::hbonds::hbtrie::HBAtom::hb_chem_type ( int chemtype)

inline

Definition at line 57 of file HBAtom.hh.

References hb_chem_type_.

HBDonChemType core::scoring::hbonds::hbtrie::HBAtom::hb_don_chem_type ( ) const

inline

Definition at line 55 of file HBAtom.hh.

References hb_chem_type_, and is_hydrogen_.

Referenced by core::scoring::hbonds::hbond_evaluation_type().

bool core::scoring::hbonds::hbtrie::HBAtom::is_backbone ( ) const

inline

Definition at line 72 of file HBAtom.hh.

References is_backbone_.

void core::scoring::hbonds::hbtrie::HBAtom::is_backbone ( bool setting)

inline

Definition at line 75 of file HBAtom.hh.

References is_backbone_.

bool core::scoring::hbonds::hbtrie::HBAtom::is_dna ( ) const

inline

Definition at line 84 of file HBAtom.hh.

References is_dna_.

void core::scoring::hbonds::hbtrie::HBAtom::is_dna ( bool setting)

inline

Definition at line 87 of file HBAtom.hh.

References is_dna_.

bool core::scoring::hbonds::hbtrie::HBAtom::is_hydrogen ( ) const

inline

property required by RotamerTrie class

Definition at line 65 of file HBAtom.hh.

References is_hydrogen_.

void core::scoring::hbonds::hbtrie::HBAtom::is_hydrogen ( bool setting)

inline

setter method for data required by RotamerTrie class

Definition at line 69 of file HBAtom.hh.

References is_hydrogen_.

bool core::scoring::hbonds::hbtrie::HBAtom::is_protein ( ) const

inline

Definition at line 78 of file HBAtom.hh.

References is_protein_.

void core::scoring::hbonds::hbtrie::HBAtom::is_protein ( bool setting)

inline

Definition at line 81 of file HBAtom.hh.

References is_protein_.

bool core::scoring::hbonds::hbtrie::HBAtom::non_hbonding_atom ( ) const

inline

Definition at line 177 of file HBAtom.hh.

References hb_chem_type_.

Referenced by core::scoring::hbonds::HBondEnergy::heavyatom_hydrogenatom_energy().

bool core::scoring::hbonds::hbtrie::HBAtom::operator< ( HBAtom const & other) const

inline

compairison operator for sorting

Definition at line 97 of file HBAtom.hh.

References base2_xyz_, base_xyz_, hb_chem_type_, is_backbone_, is_dna_, is_hydrogen_, is_protein_, and xyz_.

bool core::scoring::hbonds::hbtrie::HBAtom::operator== ( HBAtom const & other) const

inline

equality operator for shared-prefix detection

Definition at line 146 of file HBAtom.hh.

References base2_xyz_, base_xyz_, hb_chem_type_, is_backbone_, is_dna_, is_hydrogen_, is_protein_, and xyz_.

void core::scoring::hbonds::hbtrie::HBAtom::print ( ) const

send a description of the atom to standard out

Definition at line 48 of file HBAtom.cc.

Referenced by core::scoring::hbonds::hbtrie::operator<<().

void core::scoring::hbonds::hbtrie::HBAtom::print ( std::ostream & os) const

send a description of the atom to an output stream

Definition at line 52 of file HBAtom.cc.

References base2_xyz(), base_xyz(), hb_chem_type_, and xyz().

Vector const& core::scoring::hbonds::hbtrie::HBAtom::xyz ( ) const

inline

Definition at line 46 of file HBAtom.hh.

References xyz_.

Referenced by base2_xyz(), base_xyz(), core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy(), core::scoring::hbonds::HBondEnergy::heavyatom_heavyatom_energy(), core::scoring::hbonds::HBondEnergy::heavyatom_hydrogenatom_energy(), and print().

void core::scoring::hbonds::hbtrie::HBAtom::xyz ( Vector const & coord)

inline

Definition at line 47 of file HBAtom.hh.

References xyz_.

Member Data Documentation

Vector core::scoring::hbonds::hbtrie::HBAtom::base2_xyz_

private

Definition at line 184 of file HBAtom.hh.

Referenced by base2_xyz(), operator<(), and operator==().

Vector core::scoring::hbonds::hbtrie::HBAtom::base_xyz_

private

Definition at line 183 of file HBAtom.hh.

Referenced by base_xyz(), operator<(), and operator==().

int core::scoring::hbonds::hbtrie::HBAtom::hb_chem_type_

private

Definition at line 193 of file HBAtom.hh.

Referenced by hb_acc_chem_type(), hb_chem_type(), hb_don_chem_type(), non_hbonding_atom(), operator<(), operator==(), and print().

bool core::scoring::hbonds::hbtrie::HBAtom::is_backbone_

private

Definition at line 188 of file HBAtom.hh.

Referenced by is_backbone(), operator<(), and operator==().

bool core::scoring::hbonds::hbtrie::HBAtom::is_dna_

private

Definition at line 191 of file HBAtom.hh.

Referenced by is_dna(), operator<(), and operator==().

bool core::scoring::hbonds::hbtrie::HBAtom::is_hydrogen_

private

Definition at line 186 of file HBAtom.hh.

Referenced by hb_acc_chem_type(), hb_don_chem_type(), is_hydrogen(), operator<(), and operator==().

bool core::scoring::hbonds::hbtrie::HBAtom::is_protein_

private

Definition at line 190 of file HBAtom.hh.

Referenced by is_protein(), operator<(), and operator==().

Vector core::scoring::hbonds::hbtrie::HBAtom::xyz_

private

Definition at line 182 of file HBAtom.hh.

Referenced by operator<(), operator==(), and xyz().

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

src/core/scoring/hbonds/hbtrie/HBAtom.hh
src/core/scoring/hbonds/hbtrie/HBAtom.cc

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation