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

#include <SidechainStateAssignment.hh>

Collaboration diagram for core::pack::scmin::SidechainStateAssignment:

Public Member Functions
	SidechainStateAssignment (Size nmoltenres)
	SidechainStateAssignment (SidechainStateAssignment const &)
SidechainStateAssignment const &	operator= (SidechainStateAssignment 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.

Definition at line 34 of file SidechainStateAssignment.hh.

Constructor & Destructor Documentation

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

(

Size

nmoltenres)

Definition at line 30 of file SidechainStateAssignment.cc.

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

(

SidechainStateAssignment const &

src)

Definition at line 38 of file SidechainStateAssignment.cc.

Member Function Documentation

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

(

)

const

Definition at line 95 of file SidechainStateAssignment.cc.

References n_unassigned_.

Referenced by core::pack::minimize_alt_rotamer().

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

(

Real

energy)

Definition at line 79 of file SidechainStateAssignment.cc.

References energy(), and energy_.

Referenced by core::pack::assign_random_rotamers().

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

Definition at line 66 of file SidechainStateAssignment.cc.

References n_unassigned_, and original_rotamer_id_.

Referenced by core::pack::assign_random_rotamers().

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

inline

Definition at line 47 of file SidechainStateAssignment.hh.

References energy_.

Referenced by assign_energy().

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

(

Size

moltenresid)

const

Definition at line 82 of file SidechainStateAssignment.cc.

References state_assignments_.

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

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

inline

Definition at line 49 of file SidechainStateAssignment.hh.

References n_unassigned_.

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

(

SidechainStateAssignment const &

rhs)

Definition at line 47 of file SidechainStateAssignment.cc.

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

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

(

Size

moltenres)

const

Definition at line 89 of file SidechainStateAssignment.cc.

References original_rotamer_id_.

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

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

(

Size

moltenresid)

Definition at line 60 of file SidechainStateAssignment.cc.

References state_assignments_.

Referenced by core::pack::assign_random_rotamers().

Member Data Documentation

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

private

Definition at line 55 of file SidechainStateAssignment.hh.

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

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

private

Definition at line 56 of file SidechainStateAssignment.hh.

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

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

private

Definition at line 52 of file SidechainStateAssignment.hh.

Referenced by operator=().

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

private

Definition at line 54 of file SidechainStateAssignment.hh.

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

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

private

Definition at line 53 of file SidechainStateAssignment.hh.

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

---

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

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