core::energy_methods::GoapRsdType Class Reference

#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

GoapRsdType()

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

default

~GoapRsdType()

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

overridedefault

Member Function Documentation

add_atmname_using()

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

inline

References atmname_using_, and protocols::kinmatch::str().

atmid()

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

inline

References atmid_.

atmname_using()

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

inline

References atmname_using_.

connected_by_twobonds()

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

inline

References connected_by_twobonds_.

i2()

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

inline

References i2_.

i3()

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

inline

References i3_.

is_using()

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

inline

References is_using_.

name()

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

inline

References name_.

natom()

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

inline

References natom_.

nusing()

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

inline

References atmname_using_.

set_angle_atom()

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

inline

References angle_atom_.

set_atmid()

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

inline

References atmid_.

set_branch_atom()

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

inline

References branch_atom_.

set_root_atom()

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

inline

References root_atom_.

set_using()

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

inline

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

setup_connectivity()

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().

setup_rsdtype()

void core::energy_methods::GoapRsdType::setup_rsdtype

(

chemical::ResidueTypeCOP

rsd

)

Member Data Documentation

angle_atom_

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

private

Referenced by set_angle_atom().

atmid_

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

private

Referenced by atmid(), and set_atmid().

atmname_using_

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

private

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

branch_atom_

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

private

Referenced by set_branch_atom().

connected_by_twobonds_

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

private

Referenced by connected_by_twobonds().

i2_

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

private

Referenced by i2().

i3_

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

private

Referenced by i3().

is_using_

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

private

Referenced by is_using(), and set_using().

name_

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

private

Referenced by name().

natom_

Size core::energy_methods::GoapRsdType::natom_

private

Referenced by natom().

root_atom_

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

private

Referenced by set_root_atom().

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

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