Rosetta 3.4
Public Member Functions
protocols::canonical_sampling::ThermodynamicMover Class Reference

#include <ThermodynamicMover.hh>

Inheritance diagram for protocols::canonical_sampling::ThermodynamicMover:
Inheritance graph
[legend]
Collaboration diagram for protocols::canonical_sampling::ThermodynamicMover:
Collaboration graph
[legend]

List of all members.

Public Member Functions

 ThermodynamicMover ()
virtual ~ThermodynamicMover ()
virtual void initialize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size cycle)
 callback executed before any Monte Carlo trials
virtual void observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 callback executed after the Metropolis criterion is evaluated
virtual core::Real last_proposal_density_ratio ()
 callback for proposal density ratio of last apply method
virtual void finalize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 callback executed after all Monte Carlo trials
virtual bool preserve_detailed_balance () const =0
 get whether detailed balance is preserved (i.e. no branch angle optimization during moves)
virtual void set_preserve_detailed_balance (bool preserve_detailed_balance)=0
 set whether detailed balance is preserved (i.e. no branch angle optimization during moves)
virtual bool is_multi_trial ()
 determine whether the move performs multiple trials on a single apply
virtual core::Real last_inner_score_temperature_delta ()
 get change in internal score/temperature for last apply method of multiple trial movers
virtual
protocols::canonical_sampling::MetropolisHastingsMoverAP 
metropolis_hastings_mover ()
 get the MetropolisHastingsMover for multiple trial movers
virtual void set_metropolis_hastings_mover (protocols::canonical_sampling::MetropolisHastingsMoverAP metropolis_hastings_mover)
 set the MetropolisHastingsMover for multiple trial movers
virtual utility::vector1
< core::id::TorsionID_Range
torsion_id_ranges (core::pose::Pose &pose)=0
 get the TorsionIDs perturbed by the mover during moves, along with their ranges
virtual utility::vector1
< core::id::DOF_ID_Range
dof_id_ranges (core::pose::Pose &pose)
 get the DOF_IDs perturbed by the mover during moves (not including those returned by torsion_id_ranges(), along with their ranges

Constructor & Destructor Documentation

protocols::canonical_sampling::ThermodynamicMover::ThermodynamicMover ( )
protocols::canonical_sampling::ThermodynamicMover::~ThermodynamicMover ( ) [virtual]

Member Function Documentation

utility::vector1< core::id::DOF_ID_Range > protocols::canonical_sampling::ThermodynamicMover::dof_id_ranges ( core::pose::Pose pose) [virtual]
void protocols::canonical_sampling::ThermodynamicMover::finalize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover 
) [virtual]

callback executed after all Monte Carlo trials

Reimplemented in protocols::backrub::BackrubSidechainMover.

void protocols::canonical_sampling::ThermodynamicMover::initialize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover,
core::Size  cycle 
) [virtual]
bool protocols::canonical_sampling::ThermodynamicMover::is_multi_trial ( ) [virtual]

determine whether the move performs multiple trials on a single apply

Reimplemented in protocols::simple_moves::sidechain_moves::SidechainMCMover.

core::Real protocols::canonical_sampling::ThermodynamicMover::last_inner_score_temperature_delta ( ) [virtual]

get change in internal score/temperature for last apply method of multiple trial movers

Reimplemented in protocols::simple_moves::sidechain_moves::SidechainMCMover.

core::Real protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio ( ) [virtual]
protocols::canonical_sampling::MetropolisHastingsMoverAP protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover ( ) [virtual]

get the MetropolisHastingsMover for multiple trial movers

Reimplemented in protocols::simple_moves::sidechain_moves::SidechainMCMover.

void protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis ( protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover) [virtual]

callback executed after the Metropolis criterion is evaluated

Reimplemented in protocols::backrub::BackrubSidechainMover.

virtual bool protocols::canonical_sampling::ThermodynamicMover::preserve_detailed_balance ( ) const [pure virtual]
void protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover ( protocols::canonical_sampling::MetropolisHastingsMoverAP  metropolis_hastings_mover) [virtual]

set the MetropolisHastingsMover for multiple trial movers

Reimplemented in protocols::simple_moves::sidechain_moves::SidechainMCMover.

virtual void protocols::canonical_sampling::ThermodynamicMover::set_preserve_detailed_balance ( bool  preserve_detailed_balance) [pure virtual]
virtual utility::vector1<core::id::TorsionID_Range> protocols::canonical_sampling::ThermodynamicMover::torsion_id_ranges ( core::pose::Pose pose) [pure virtual]

The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines