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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:
Inheritance graph
[legend]

Public Member Functions

 SidechainStateAssignment (Size nmoltenres)
 
 SidechainStateAssignment (SidechainStateAssignment const &)
 
SidechainStateAssignmentoperator= (SidechainStateAssignment const &)
 
Size nmoltenres () const
 
scmin::ResidueAtomTreeCollectionMomentostate_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< Sizeoriginal_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

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

Member Function Documentation

bool core::pack::scmin::SidechainStateAssignment::any_unassigned ( ) const
void core::pack::scmin::SidechainStateAssignment::assign_energy ( Real  energy)

References energy(), and energy_.

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

void core::pack::scmin::SidechainStateAssignment::assign_state ( Size  moltenresid,
Size  orig_rotid 
)
Real core::pack::scmin::SidechainStateAssignment::energy ( ) const
inline
scmin::ResidueAtomTreeCollectionMomento const & core::pack::scmin::SidechainStateAssignment::momento_for_moltenres ( Size  moltenresid) const
Size core::pack::scmin::SidechainStateAssignment::n_unassigned ( ) const
inline

References n_unassigned_.

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

References nmoltenres_.

SidechainStateAssignment & core::pack::scmin::SidechainStateAssignment::operator= ( SidechainStateAssignment const &  rhs)
Size core::pack::scmin::SidechainStateAssignment::orig_rotamer_id_for_moltenres ( Size  moltenres) const
scmin::ResidueAtomTreeCollectionMomento & core::pack::scmin::SidechainStateAssignment::state_momento ( Size  moltenresid)

Member Data Documentation

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

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

Size core::pack::scmin::SidechainStateAssignment::n_unassigned_
private
Size core::pack::scmin::SidechainStateAssignment::nmoltenres_
private

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

utility::vector1< Size > core::pack::scmin::SidechainStateAssignment::original_rotamer_id_
private
utility::vector1< scmin::ResidueAtomTreeCollectionMomento > core::pack::scmin::SidechainStateAssignment::state_assignments_
private

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