Rosetta Core: core::scoring::methods::GoapRsdType Class Reference

Rosetta Core 2014.16.56682

#include <GoapEnergy.hh>

Public Member Functions
	GoapRsdType ()

	~GoapRsdType ()

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::scoring::methods::GoapRsdType::GoapRsdType ( )

core::scoring::methods::GoapRsdType::~GoapRsdType ( )

Member Function Documentation

void core::scoring::methods::GoapRsdType::add_atmname_using ( std::string const str )

inline

References atmname_using_.

Size core::scoring::methods::GoapRsdType::atmid ( Size const i ) const

inline

References atmid_.

std::string core::scoring::methods::GoapRsdType::atmname_using ( Size const i ) const

inline

References atmname_using_.

bool core::scoring::methods::GoapRsdType::connected_by_twobonds ( Size const i ) const

inline

References connected_by_twobonds_.

Referenced by setup_connectivity().

Size core::scoring::methods::GoapRsdType::i2 ( Size const i ) const

inline

References i2_.

Referenced by setup_connectivity().

Size core::scoring::methods::GoapRsdType::i3 ( Size const i ) const

inline

References i3_.

Referenced by setup_connectivity().

bool core::scoring::methods::GoapRsdType::is_using ( Size const i ) const

inline

References is_using_.

std::string core::scoring::methods::GoapRsdType::name ( ) const

inline

References name_.

Size core::scoring::methods::GoapRsdType::natom ( ) const

inline

References natom_.

Referenced by setup_rsdtype().

Size core::scoring::methods::GoapRsdType::nusing ( ) const

inline

References atmname_using_.

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

inline

References angle_atom_.

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

inline

References atmid_.

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

inline

References branch_atom_.

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

inline

References root_atom_.

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

inline

References is_using_.

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

References angle_atom_, core::chemical::ResidueType::atom_index(), core::chemical::ResidueType::atom_name(), branch_atom_, connected_by_twobonds(), connected_by_twobonds_, i2(), i2_, i3(), i3_, core::chemical::ResidueType::natoms(), and root_atom_.

void core::scoring::methods::GoapRsdType::setup_rsdtype ( chemical::ResidueTypeCOP rsd )

References atmid_, atmname_using_, connected_by_twobonds_, i2_, i3_, is_using_, name_, natom(), and natom_.

Member Data Documentation

std::map< Size, Size > core::scoring::methods::GoapRsdType::angle_atom_

private

Referenced by set_angle_atom(), and setup_connectivity().

utility::vector1< Size > core::scoring::methods::GoapRsdType::atmid_

private

Referenced by atmid(), set_atmid(), and setup_rsdtype().

utility::vector1< std::string > core::scoring::methods::GoapRsdType::atmname_using_

private

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

std::map< Size, Size > core::scoring::methods::GoapRsdType::branch_atom_

private

Referenced by set_branch_atom(), and setup_connectivity().

utility::vector1< bool > core::scoring::methods::GoapRsdType::connected_by_twobonds_

private

Referenced by connected_by_twobonds(), setup_connectivity(), and setup_rsdtype().

utility::vector1< Size > core::scoring::methods::GoapRsdType::i2_

private

Referenced by i2(), setup_connectivity(), and setup_rsdtype().

utility::vector1< Size > core::scoring::methods::GoapRsdType::i3_

private

Referenced by i3(), setup_connectivity(), and setup_rsdtype().

utility::vector1< bool > core::scoring::methods::GoapRsdType::is_using_

private

Referenced by is_using(), set_using(), and setup_rsdtype().

std::string core::scoring::methods::GoapRsdType::name_

private

Referenced by name(), and setup_rsdtype().

Size core::scoring::methods::GoapRsdType::natom_

private

Referenced by natom(), and setup_rsdtype().

std::map< Size, Size > core::scoring::methods::GoapRsdType::root_atom_

private

Referenced by set_root_atom(), and setup_connectivity().

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

symlinks/rosetta/src/core/scoring/methods/GoapEnergy.hh
symlinks/rosetta/src/core/scoring/methods/GoapEnergy.cc