#include <FASTERAnnealer.hh>

Inheritance diagram for core::pack::annealer::FASTERAnnealer:

Collaboration diagram for core::pack::annealer::FASTERAnnealer:

Public Types
typedef RotamerAssigningAnnealer	parent

typedef rotamer_set::FixbbRotamerSetsCOP	FixbbRotamerSetsCOP

Public Types inherited from core::pack::annealer::RotamerAssigningAnnealer
typedef rotamer_set::FixbbRotamerSetsCOP	FixbbRotamerSetsCOP

Public Types inherited from core::pack::annealer::SimAnnealerBase
typedef rotamer_set::RotamerSetsBaseCOP	RotamerSetsBaseCOP

Public Member Functions
	FASTERAnnealer (ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, interaction_graph::FASTERInteractionGraphOP ig, FixbbRotamerSetsCOP rotamer_sets, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)

virtual	~FASTERAnnealer ()

void	run ()

void	set_ciBR_only (bool setting)

void	set_num_sa_trajectories (int setting)

void	set_sa_length_scale (Real setting)

Public Member Functions inherited from core::pack::annealer::RotamerAssigningAnnealer
	RotamerAssigningAnnealer (int num_of_rot_to_pack, ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, FixbbRotamerSetsCOP p_rotamer_set, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)

	RotamerAssigningAnnealer (utility::vector0< int > &rot_to_pack, int num_of_rot_to_pack, ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, FixbbRotamerSetsCOP p_rotamer_set, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)

virtual	~RotamerAssigningAnnealer ()

int	pick_a_rotamer (int cycle)
	pick a rotamer from a list More...

int	pick_a_rotamer_for_node (int node) const

void	set_assign_state_to_all_nodes_immediately (bool setting)

Public Member Functions inherited from core::pack::annealer::SimAnnealerBase
	SimAnnealerBase (int num_rots_to_pack, ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)

virtual	~SimAnnealerBase ()
	virtual destructor More...

bool	pass_metropolis (core::PackerEnergy delta_energy) const
	accept or reject movement based on Metropolis criterion if this is the first movement, accept by default. More...

bool	pass_metropolis (core::PackerEnergy previous_energy, core::PackerEnergy delta_energy) const

void	setup_iterations ()

void	setup_iterations (const int &num_of_state_changes)

int	get_outeriterations () const
	get the iterations number for simulation More...

int	get_inneriterations () const

void	setup_temperature (const int &nn)

void	setup_temperature (const ObjexxFCL::FArray1D< core::PackerEnergy > &loopenergy, int nn)

void	set_temperature (core::PackerEnergy new_temperature)

core::PackerEnergy	get_temperature () const

void	set_to_quench ()

void	set_not_to_quench ()

bool	quench () const

bool	get_start_with_current () const

bool	get_calc_rot_freq () const

void	set_disallow_quench (bool const &setting)

void	set_hightemp (core::PackerEnergy)

void	set_lowtemp (core::PackerEnergy)

void	scale_outeriterations (core::PackerEnergy const so)

void	scale_inneriterations (core::PackerEnergy const si)

Private Member Functions
void	iBR ()

void	trySeveral_ciBRs ()

void	ciBR ()

void	sBR ()

void	dBR ()

void	finalize_output ()

void	run_quench_cycles ()

void	reset_recent_network_state_history ()

void	note_current_network_state (ObjexxFCL::FArray1_int const &netstate)

bool	stuck_in_network_state_loop ()

int	pick_rotamer_for_node (int node)

int	pick_a_rotamer_for_sBR ()

void	shuffle_sBR_rotamers ()

int	hash_recent_history (int history_index)

Private Attributes
interaction_graph::FASTERInteractionGraphOP	ig_

FixbbRotamerSetsCOP	rotamer_sets_

int const	num_nodes_

ObjexxFCL::FArray2D_int	recent_network_state_history_

ObjexxFCL::FArray1D_int	recent_history_hash_values_

ObjexxFCL::FArray1D_int	recent_history_hash_count_

int	recent_history_head_

int	curr_in_recent_history_

bool	netstate_duplicated_

int	progress_through_sBR_

utility::vector0< int >	sBR_rotamers_

bool	ciBR_only_

int	num_sa_trajectories_

Real	sa_inner_iterations_length_scale_

int	sBR_limit_

Static Private Attributes
static int const	recent_history_size_ = 100

static int const	hash_size_ = 2017

Additional Inherited Members
Protected Member Functions inherited from core::pack::annealer::RotamerAssigningAnnealer
FixbbRotamerSetsCOP	rotamer_sets () const

utility::vector0< int > const &	rot_to_pack () const

Static Protected Attributes inherited from core::pack::annealer::SimAnnealerBase
static const core::PackerEnergy	hightemp = 100.0

static const core::PackerEnergy	lowtemp = 0.3

static const int	maxouteriterations = 500

static const core::PackerEnergy	calc_freq_temp = 1.0

Detailed Description

Definition at line 40 of file FASTERAnnealer.hh.

Member Typedef Documentation

typedef rotamer_set::FixbbRotamerSetsCOP core::pack::annealer::FASTERAnnealer::FixbbRotamerSetsCOP

Definition at line 44 of file FASTERAnnealer.hh.

typedef RotamerAssigningAnnealer core::pack::annealer::FASTERAnnealer::parent

Definition at line 43 of file FASTERAnnealer.hh.

Constructor & Destructor Documentation

core::pack::annealer::FASTERAnnealer::FASTERAnnealer	(	ObjexxFCL::FArray1D_int &	bestrotamer_at_seqpos,
		core::PackerEnergy &	bestenergy,
		bool	start_with_current,
		interaction_graph::FASTERInteractionGraphOP	ig,
		FixbbRotamerSetsCOP	rotamer_sets,
		ObjexxFCL::FArray1_int &	current_rot_index,
		bool	calc_rot_freq,
		ObjexxFCL::FArray1D< core::PackerEnergy > &	rot_freq
	)