core::pack::annealer::FixbbSimAnnealer Class Reference

#include <FixbbSimAnnealer.hh>

Inheritance diagram for core::pack::annealer::FixbbSimAnnealer:

Public Types
typedef interaction_graph::AnnealableGraphBaseOP	AnnealableGraphBaseOP

Public Member Functions
	FixbbSimAnnealer (utility::vector0< int > &rot_to_pack, ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, AnnealableGraphBaseOP ig, FixbbRotamerSetsCOP rotamer_sets, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)
	FixbbSimAnnealer (ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, core::PackerEnergy &bestenergy, bool start_with_current, AnnealableGraphBaseOP ig, FixbbRotamerSetsCOP rotamer_sets, ObjexxFCL::FArray1_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< core::PackerEnergy > &rot_freq)
	~FixbbSimAnnealer () override
	virtual destructor More...
void	run () override
	sim_annealing for fixed backbone design mode More...
void	record_annealer_trajectory (bool setting)
void	trajectory_file_name (std::string const &setting)

Private Member Functions
	FixbbSimAnnealer (const FixbbSimAnnealer &rhs)

Private Attributes
AnnealableGraphBaseOP	ig_
bool	record_annealer_trajectory_
std::string	trajectory_file_name_

Member Typedef Documentation

AnnealableGraphBaseOP

typedef interaction_graph::AnnealableGraphBaseOP core::pack::annealer::FixbbSimAnnealer::AnnealableGraphBaseOP

Constructor & Destructor Documentation

FixbbSimAnnealer() [1/3]

core::pack::annealer::FixbbSimAnnealer::FixbbSimAnnealer	(	utility::vector0< int > &	rot_to_pack,
		ObjexxFCL::FArray1D_int &	bestrotamer_at_seqpos,
		core::PackerEnergy &	bestenergy,
		bool	start_with_current,
		AnnealableGraphBaseOP	ig,
		FixbbRotamerSetsCOP	rotamer_sets,
		ObjexxFCL::FArray1_int &	current_rot_index,
		bool	calc_rot_freq,
		ObjexxFCL::FArray1D< core::PackerEnergy > &	rot_freq
	)

FixbbSimAnnealer() [2/3]

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

~FixbbSimAnnealer()

core::pack::annealer::FixbbSimAnnealer::~FixbbSimAnnealer ( )

overridedefault

virtual destructor

FixbbSimAnnealer() [3/3]

core::pack::annealer::FixbbSimAnnealer::FixbbSimAnnealer ( const FixbbSimAnnealer &  rhs )

private

Member Function Documentation

record_annealer_trajectory()

void core::pack::annealer::FixbbSimAnnealer::record_annealer_trajectory

(

bool

setting

)

run()

void core::pack::annealer::FixbbSimAnnealer::run ( )

override

sim_annealing for fixed backbone design mode

References utility::io::oc::cerr, count, utility::io::oc::cout, debug_assert, create_a3b_hbs::ii, basic::options::OptionKeys::corrections::water::include_vrt, create_a3b_hbs::k, subloop_histogram::key, numeric::log(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, basic::options::OptionKeys::cm::nn, kmeans_bb_dependent_rotlib::nrot, basic::options::OptionKeys::out::file::o, ObjexxFCL::operator==(), basic::options::option, pair, numeric::random::rg(), test.T120_core::rotamer_sets, runtime_assert, ObjexxFCL::FArray< T >::size(), predPRE::t, local::temperature, basic::options::OptionKeys::recces::temps, TR, numeric::random::uniform(), utility_exit, kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, and vec().

trajectory_file_name()

void core::pack::annealer::FixbbSimAnnealer::trajectory_file_name

(

std::string const &

setting

)

Member Data Documentation

ig_

AnnealableGraphBaseOP core::pack::annealer::FixbbSimAnnealer::ig_

private

record_annealer_trajectory_

bool core::pack::annealer::FixbbSimAnnealer::record_annealer_trajectory_

private

trajectory_file_name_

std::string core::pack::annealer::FixbbSimAnnealer::trajectory_file_name_

private

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

• src/apps/pilot/jackmaguire/vlmmlr_packer/FixbbSimAnnealer.hh
• src/apps/pilot/jackmaguire/vlmmlr_packer/FixbbSimAnnealer.cc