#include <BumpSelector.hh>

Public Member Functions
	BumpSelector ()

void	set_max_rot_bumpenergy (Energy setting)

void	reset ()
	reset bump selector best energy More...

BumpSelectorDecision	iterate_bump_selector (Energy bumpenegy)
	run bump filter for current rot More...

Private Attributes
Energy const	starting_rot_bumpenergy_

Energy	max_rot_bumpenergy_

Energy	best_rot_bumpenergy_

Constructor & Destructor Documentation

core::pack::rotamer_set::BumpSelector::BumpSelector ( )

Member Function Documentation

BumpSelectorDecision core::pack::rotamer_set::BumpSelector::iterate_bump_selector ( Energy bumpenergy )

run bump filter for current rot

the bump selector is designed to include one lowest bump energy rotamer for each aa-pos if (aoif) all rotamers fail the bump filter. this function decides whether the current rotamer should be deleted, or if the previous best rotamer should be deleted and the current rotamer should take its place

References best_rot_bumpenergy_, core::pack::rotamer_set::DELETE_PREVIOUS_ROTAMER, core::pack::rotamer_set::DELETE_ROTAMER, core::pack::rotamer_set::KEEP_ROTAMER, max_rot_bumpenergy_, and starting_rot_bumpenergy_.

Referenced by core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete().

void core::pack::rotamer_set::BumpSelector::reset ( )

reset bump selector best energy

the bump selector is designed to include one lowest bump energy rotamer for each aa-pos if (aoif) all rotamers fail the bump filter this function signals the bump selector that a new seqpos+aa+aav combination is being started in the rotamer creation loop, which resets the selector process to the ground state

References best_rot_bumpenergy_, and starting_rot_bumpenergy_.

Referenced by core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete().

void core::pack::rotamer_set::BumpSelector::set_max_rot_bumpenergy ( Energy setting )

References max_rot_bumpenergy_.

Referenced by core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete().