core::pack::scmin::SidechainStateAssignment Class Reference

A simple class for tracking a network state and its energy where each sidechain's state is described by a series of chi angles. More...

#include <SidechainStateAssignment.hh>

Inheritance diagram for core::pack::scmin::SidechainStateAssignment:

Public Member Functions
	SidechainStateAssignment (Size nmoltenres)
	SidechainStateAssignment (SidechainStateAssignment const &)
SidechainStateAssignment &	operator= (SidechainStateAssignment const &)
Size	nmoltenres () const
scmin::ResidueAtomTreeCollectionMomento &	state_momento (Size moltenresid)
void	assign_state (Size moltenresid, Size orig_rotid)
void	assign_energy (Real energy)
scmin::ResidueAtomTreeCollectionMomento const &	momento_for_moltenres (Size moltenresid) const
Size	orig_rotamer_id_for_moltenres (Size moltenres) const
Real	energy () const
bool	any_unassigned () const
Size	n_unassigned () const

Private Attributes
Size	nmoltenres_
utility::vector1< scmin::ResidueAtomTreeCollectionMomento >	state_assignments_
utility::vector1< Size >	original_rotamer_id_
Real	energy_
Size	n_unassigned_

Detailed Description

A simple class for tracking a network state and its energy where each sidechain's state is described by a series of chi angles.

Constructor & Destructor Documentation

SidechainStateAssignment() [1/2]

core::pack::scmin::SidechainStateAssignment::SidechainStateAssignment

(

Size

nmoltenres

)

SidechainStateAssignment() [2/2]

core::pack::scmin::SidechainStateAssignment::SidechainStateAssignment ( SidechainStateAssignment const &  )

default

Member Function Documentation

any_unassigned()

bool core::pack::scmin::SidechainStateAssignment::any_unassigned

(

)

const

References n_unassigned_.

Referenced by core::pack::min_pack_optimize(), core::pack::minimize_alt_rotamer(), and core::pack::off_rotamer_pack_optimize().

assign_energy()

void core::pack::scmin::SidechainStateAssignment::assign_energy

(

Real

energy

)

References energy(), and energy_.

Referenced by core::pack::assign_random_rotamers(), core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

assign_state()

void core::pack::scmin::SidechainStateAssignment::assign_state	(	Size	moltenresid,
		Size	orig_rotid
	)

References n_unassigned_, and original_rotamer_id_.

Referenced by core::pack::assign_random_rotamers(), core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

energy()

Real core::pack::scmin::SidechainStateAssignment::energy ( ) const

inline

References energy_.

Referenced by assign_energy(), core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

momento_for_moltenres()

scmin::ResidueAtomTreeCollectionMomento const & core::pack::scmin::SidechainStateAssignment::momento_for_moltenres

(

Size

moltenresid

)

const

References state_assignments_.

Referenced by core::pack::get_residue_current_energy(), core::pack::get_total_energy_for_state(), core::pack::min_pack_optimize(), core::pack::min_pack_place_opt_rotamers_on_pose(), core::pack::off_rotamer_pack_optimize(), and core::pack::off_rotamer_pack_update_pose().

n_unassigned()

Size core::pack::scmin::SidechainStateAssignment::n_unassigned ( ) const

inline

References n_unassigned_.

Referenced by core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

nmoltenres()

Size core::pack::scmin::SidechainStateAssignment::nmoltenres ( ) const

inline

References nmoltenres_.

operator=()

SidechainStateAssignment & core::pack::scmin::SidechainStateAssignment::operator=

(

SidechainStateAssignment const &

rhs

)

References energy_, n_unassigned_, nmoltenres_, original_rotamer_id_, and state_assignments_.

orig_rotamer_id_for_moltenres()

Size core::pack::scmin::SidechainStateAssignment::orig_rotamer_id_for_moltenres

(

Size

moltenres

)

const

References original_rotamer_id_.

Referenced by core::pack::get_residue_current_energy(), core::pack::get_total_energy_for_state(), core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

state_momento()

scmin::ResidueAtomTreeCollectionMomento & core::pack::scmin::SidechainStateAssignment::state_momento

(

Size

moltenresid

)

References state_assignments_.

Referenced by core::pack::assign_random_rotamers(), core::pack::min_pack_optimize(), and core::pack::off_rotamer_pack_optimize().

Member Data Documentation

energy_

Real core::pack::scmin::SidechainStateAssignment::energy_

private

Referenced by assign_energy(), energy(), and operator=().

n_unassigned_

Size core::pack::scmin::SidechainStateAssignment::n_unassigned_

private

Referenced by any_unassigned(), assign_state(), n_unassigned(), and operator=().

nmoltenres_

Size core::pack::scmin::SidechainStateAssignment::nmoltenres_

private

Referenced by nmoltenres(), and operator=().

original_rotamer_id_

utility::vector1< Size > core::pack::scmin::SidechainStateAssignment::original_rotamer_id_

private

Referenced by assign_state(), operator=(), and orig_rotamer_id_for_moltenres().

state_assignments_

utility::vector1< scmin::ResidueAtomTreeCollectionMomento > core::pack::scmin::SidechainStateAssignment::state_assignments_

private

Referenced by momento_for_moltenres(), operator=(), and state_momento().

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

• src/core/pack/scmin/SidechainStateAssignment.hh
• src/core/pack/scmin/SidechainStateAssignment.cc