#include <GoapEnergy.hh>

Inheritance diagram for core::energy_methods::GoapRsdType:

Public Member Functions
	GoapRsdType ()

	~GoapRsdType () override

void	setup_rsdtype (chemical::ResidueTypeCOP rsd)

void	setup_connectivity (chemical::ResidueType const &rsd)

void	set_atmid (Size const i, Size const j)

void	add_atmname_using (std::string const &str)

void	set_root_atom (Size const i, Size const j)

void	set_branch_atom (Size const i, Size const j)

void	set_angle_atom (Size const i, Size const j)

void	set_using (Size const i, bool const val)

Size	natom () const

Size	nusing () const

std::string	atmname_using (Size const i) const

bool	is_using (Size const i) const

bool	connected_by_twobonds (Size const i) const

Size	i2 (Size const i) const

Size	i3 (Size const i) const

Size	atmid (Size const i) const

std::string	name () const

Private Attributes
Size	natom_

utility::vector1< std::string >	atmname_using_

utility::vector1< bool >	is_using_

utility::vector1< bool >	connected_by_twobonds_

utility::vector1< Size >	i2_

utility::vector1< Size >	i3_

utility::vector1< Size >	atmid_

std::map< Size, Size >	root_atom_

std::map< Size, Size >	branch_atom_

std::map< Size, Size >	angle_atom_

std::string	name_

Constructor & Destructor Documentation

core::energy_methods::GoapRsdType::GoapRsdType ( )

default

core::energy_methods::GoapRsdType::~GoapRsdType ( )

overridedefault

Member Function Documentation

void core::energy_methods::GoapRsdType::add_atmname_using ( std::string const & str )

inline

References atmname_using_.

Size core::energy_methods::GoapRsdType::atmid ( Size const i ) const

inline

References atmid_.

std::string core::energy_methods::GoapRsdType::atmname_using ( Size const i ) const

inline

References atmname_using_.

bool core::energy_methods::GoapRsdType::connected_by_twobonds ( Size const i ) const

inline

References connected_by_twobonds_.

Size core::energy_methods::GoapRsdType::i2 ( Size const i ) const

inline

References i2_.

Size core::energy_methods::GoapRsdType::i3 ( Size const i ) const

inline

References i3_.

bool core::energy_methods::GoapRsdType::is_using ( Size const i ) const

inline

References is_using_.

std::string core::energy_methods::GoapRsdType::name ( ) const

inline

References name_.

Size core::energy_methods::GoapRsdType::natom ( ) const

inline

References natom_.

Size core::energy_methods::GoapRsdType::nusing ( ) const

inline

References atmname_using_.

void core::energy_methods::GoapRsdType::set_angle_atom	(	Size const	i,
		Size const	j
	)

inline

References angle_atom_.

void core::energy_methods::GoapRsdType::set_atmid	(	Size const	i,
		Size const	j
	)

inline

References atmid_.

void core::energy_methods::GoapRsdType::set_branch_atom	(	Size const	i,
		Size const	j
	)

inline

References branch_atom_.

void core::energy_methods::GoapRsdType::set_root_atom	(	Size const	i,
		Size const	j
	)

inline

References root_atom_.

void core::energy_methods::GoapRsdType::set_using	(	Size const	i,
		bool const	val
	)

inline

References is_using_, and protocols::hybridization::val.

void core::energy_methods::GoapRsdType::setup_connectivity ( chemical::ResidueType const & rsd )

References core::chemical::ResidueType::atom_index(), core::chemical::ResidueType::atom_name(), and core::chemical::ResidueType::natoms().

void core::energy_methods::GoapRsdType::setup_rsdtype ( chemical::ResidueTypeCOP rsd )

Member Data Documentation

std::map< Size, Size > core::energy_methods::GoapRsdType::angle_atom_

private

Referenced by set_angle_atom().

utility::vector1< Size > core::energy_methods::GoapRsdType::atmid_

private

Referenced by atmid(), and set_atmid().

utility::vector1< std::string > core::energy_methods::GoapRsdType::atmname_using_

private

Referenced by add_atmname_using(), atmname_using(), and nusing().

std::map< Size, Size > core::energy_methods::GoapRsdType::branch_atom_

private

Referenced by set_branch_atom().

utility::vector1< bool > core::energy_methods::GoapRsdType::connected_by_twobonds_

private

Referenced by connected_by_twobonds().

utility::vector1< Size > core::energy_methods::GoapRsdType::i2_

private

Referenced by i2().

utility::vector1< Size > core::energy_methods::GoapRsdType::i3_

private

Referenced by i3().

utility::vector1< bool > core::energy_methods::GoapRsdType::is_using_

private

Referenced by is_using(), and set_using().

std::string core::energy_methods::GoapRsdType::name_

private

Referenced by name().

Size core::energy_methods::GoapRsdType::natom_

private

Referenced by natom().

std::map< Size, Size > core::energy_methods::GoapRsdType::root_atom_

private

Referenced by set_root_atom().

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

src/core/energy_methods/GoapEnergy.hh
src/core/energy_methods/GoapEnergy.cc

Public Member Functions

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation