core::scoring::hbonds::hbtrie::HBAtom Class Reference

#include <HBAtom.hh>

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)
bool	is_wat () const
void	is_wat (bool setting)
bool	near_wat () const
void	near_wat (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_
bool	is_wat_
bool	near_wat_
int	hb_chem_type_

Constructor & Destructor Documentation

HBAtom()

core::scoring::hbonds::hbtrie::HBAtom::HBAtom

(

)

~HBAtom()

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

default

Member Function Documentation

base2_xyz() [1/2]

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

inline

References base2_xyz_.

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

base2_xyz() [2/2]

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

inline

References base2_xyz_, and xyz().

base_xyz() [1/2]

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

inline

References base_xyz_.

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

base_xyz() [2/2]

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

inline

References base_xyz_, and xyz().

hb_acc_chem_type()

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

inline

References hb_chem_type_, and is_hydrogen_.

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

hb_chem_type()

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

inline

References hb_chem_type_.

hb_don_chem_type()

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

inline

References hb_chem_type_, and is_hydrogen_.

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

is_backbone() [1/2]

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

inline

References is_backbone_.

is_backbone() [2/2]

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

inline

References is_backbone_.

is_dna() [1/2]

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

inline

References is_dna_.

is_dna() [2/2]

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

inline

References is_dna_.

is_hydrogen() [1/2]

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

inline

property required by RotamerTrie class

References is_hydrogen_.

is_hydrogen() [2/2]

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

inline

setter method for data required by RotamerTrie class

References is_hydrogen_.

is_protein() [1/2]

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

inline

References is_protein_.

is_protein() [2/2]

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

inline

References is_protein_.

is_wat() [1/2]

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

inline

References is_wat_.

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

is_wat() [2/2]

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

inline

References is_wat_.

near_wat() [1/2]

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

inline

References near_wat_.

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

near_wat() [2/2]

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

inline

References near_wat_.

non_hbonding_atom()

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

inline

References hb_chem_type_.

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

operator<()

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

inline

compairison operator for sorting

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

operator==()

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

inline

equality operator for shared-prefix detection

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

print() [1/2]

void core::scoring::hbonds::hbtrie::HBAtom::print

(

)

const

send a description of the atom to standard out

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

print() [2/2]

void core::scoring::hbonds::hbtrie::HBAtom::print

(

std::ostream &

os

)

const

send a description of the atom to an output stream

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

xyz() [1/2]

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

inline

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().

xyz() [2/2]

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

inline

References xyz_.

Member Data Documentation

base2_xyz_

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

private

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

base_xyz_

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

private

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

hb_chem_type_

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

private

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

is_backbone_

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

private

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

is_dna_

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

private

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

is_hydrogen_

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

private

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

is_protein_

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

private

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

is_wat_

bool core::scoring::hbonds::hbtrie::HBAtom::is_wat_

private

Referenced by is_wat().

near_wat_

bool core::scoring::hbonds::hbtrie::HBAtom::near_wat_

private

Referenced by near_wat().

xyz_

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

private

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

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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