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core::pack::rotamer_set::BumpSelector Class Reference

#include <BumpSelector.hh>

Public Member Functions

 BumpSelector ()
 
 BumpSelector (Energy max_rot_energy)
 Set the max energy and "reset" the selector in a single call. More...
 
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 ( )
core::pack::rotamer_set::BumpSelector::BumpSelector ( Energy  max_rot_energy)

Set the max energy and "reset" the selector in a single call.

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 protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO::alter_rotamer_set().

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 protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO::alter_rotamer_set().

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

References max_rot_bumpenergy_.

Member Data Documentation

Energy core::pack::rotamer_set::BumpSelector::best_rot_bumpenergy_
private

Referenced by iterate_bump_selector(), and reset().

Energy core::pack::rotamer_set::BumpSelector::max_rot_bumpenergy_
private
Energy const core::pack::rotamer_set::BumpSelector::starting_rot_bumpenergy_
private

Referenced by iterate_bump_selector(), and reset().


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