CalcsTestMover Class Reference

Inheritance diagram for CalcsTestMover:

Public Member Functions
	CalcsTestMover ()
void	apply (core::pose::Pose &pose) override
std::string	get_name () const override
virtual void	register_calculators ()
virtual void	calc_stuff (pose::Pose &pose, core::id::AtomID_Map< core::Real > &atom_sasa, core::id::AtomID_Map< core::Size > &atom_hbonds)
virtual void	pretty_print (pose::Pose const &pose, conformation::Residue const &rsd, Size resnum, Size atom_number, Real sasa, Size numHbonds, bool unsat) const
virtual core::Size	satisfaction_cutoff (std::string atom_type)
MoverOP	clone () const override
MoverOP	fresh_instance () const override

Private Attributes
core::scoring::ScoreFunctionOP	scorefxn_
utility::file::FileName	posename_
std::string	Sasa_
std::string	NumberHBonds_
std::string	BuriedUnsatisfiedPolars_
bool	calcs_ready_
core::Real	probe_radius_
Real	n_burried_unsat_
Real	n_exposed_sat_
core::Real	burial_cutoff_
bool	print_unsat_only_
Real	n_heavy_atoms_
Real	n_burried_N_
Real	n_burried_O
Real	n_burried_polars_
Real	n_exposed_polars_
Real	n_polars_

Constructor & Destructor Documentation

CalcsTestMover()

CalcsTestMover::CalcsTestMover

(

)

References basic::options::OptionKeys::pose_metrics::atomic_burial_cutoff, basic::options::option, option, print_only_unsat, and basic::options::OptionKeys::pose_metrics::sasa_calculator_probe_radius.

Member Function Documentation

apply()

void CalcsTestMover::apply ( core::pose::Pose &  pose )

override

References beta_nonlocal::pose, TR, and basic::MetricValue< T >::value().

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

calc_stuff()

void CalcsTestMover::calc_stuff ( pose::Pose &  pose, core::id::AtomID_Map< core::Real > &  atom_sasa, core::id::AtomID_Map< core::Size > &  atom_hbonds  )

virtual

References create_a3b_hbs::ii, beta_nonlocal::pose, pretty_print(), satisfaction_cutoff(), and TRdebug.

clone()

MoverOP CalcsTestMover::clone ( ) const

inlineoverride

fresh_instance()

MoverOP CalcsTestMover::fresh_instance ( ) const

inlineoverride

References clone().

get_name()

std::string CalcsTestMover::get_name ( ) const

inlineoverride

pretty_print()

void CalcsTestMover::pretty_print ( pose::Pose const &  pose, conformation::Residue const &  rsd, Size  resnum, Size  atom_number, Real  sasa, Size  numHbonds, bool  unsat  ) const

virtual

References lactamize::filename, beta_nonlocal::pose, predPRE::resnum, and TR2.

Referenced by calc_stuff().

register_calculators()

void CalcsTestMover::register_calculators ( )

virtual

References basic::options::option, and basic::Warning().

satisfaction_cutoff()

core::Size CalcsTestMover::satisfaction_cutoff ( std::string  atom_type )

virtual

Referenced by calc_stuff().

Member Data Documentation

burial_cutoff_

core::Real CalcsTestMover::burial_cutoff_

private

BuriedUnsatisfiedPolars_

std::string CalcsTestMover::BuriedUnsatisfiedPolars_

private

calcs_ready_

bool CalcsTestMover::calcs_ready_

private

n_burried_N_

Real CalcsTestMover::n_burried_N_

private

n_burried_O

Real CalcsTestMover::n_burried_O

private

n_burried_polars_

Real CalcsTestMover::n_burried_polars_

private

n_burried_unsat_

Real CalcsTestMover::n_burried_unsat_

private

n_exposed_polars_

Real CalcsTestMover::n_exposed_polars_

private

n_exposed_sat_

Real CalcsTestMover::n_exposed_sat_

private

n_heavy_atoms_

Real CalcsTestMover::n_heavy_atoms_

private

n_polars_

Real CalcsTestMover::n_polars_

private

NumberHBonds_

std::string CalcsTestMover::NumberHBonds_

private

posename_

utility::file::FileName CalcsTestMover::posename_

private

print_unsat_only_

bool CalcsTestMover::print_unsat_only_

private

probe_radius_

core::Real CalcsTestMover::probe_radius_

private

Sasa_

std::string CalcsTestMover::Sasa_

private

scorefxn_

core::scoring::ScoreFunctionOP CalcsTestMover::scorefxn_

private

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

• src/apps/pilot/stranges/buried_polar_finder.cc