Rosetta Protocols  2014.35
Public Types | Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::flexpack::annealer::FlexbbSimAnnealer Class Reference

#include <FlexbbSimAnnealer.hh>

Public Types

typedef
core::pack::annealer::SimAnnealerBase 
parent
 
typedef core::Size Size
 
typedef core::PackerEnergy PackerEnergy
 

Public Member Functions

 FlexbbSimAnnealer (ObjexxFCL::FArray1D_int &bestrotamer_at_seqpos, PackerEnergy &bestenergy, bool start_with_current, interaction_graph::FlexbbInteractionGraphOP ig, rotamer_set::FlexbbRotamerSetsCOP rotsets, ObjexxFCL::FArray1D_int &current_rot_index, bool calc_rot_freq, ObjexxFCL::FArray1D< PackerEnergy > &rot_freq)
 
virtual ~FlexbbSimAnnealer ()
 
void run ()
 

Protected Member Functions

Size pick_a_rotamer (Size outercycle, Size innercycle, Size cycle_number, utility::vector1< Size > &accessible_state_list) const
 
bool pass_metropolis_multiple_nodes_changing (PackerEnergy previous_fragmentE, PackerEnergy deltaE, Size num_changing_nodes) const
 

Private Member Functions

 FlexbbSimAnnealer (const FlexbbSimAnnealer &rhs)
 

Private Attributes

interaction_graph::FlexbbInteractionGraphOP ig_
 
rotamer_set::FlexbbRotamerSetsCOP rotsets_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::flexpack::annealer::FlexbbSimAnnealer::FlexbbSimAnnealer ( ObjexxFCL::FArray1D_int &  bestrotamer_at_seqpos,
PackerEnergy bestenergy,
bool  start_with_current,
interaction_graph::FlexbbInteractionGraphOP  ig,
rotamer_set::FlexbbRotamerSetsCOP  rotsets,
ObjexxFCL::FArray1D_int &  current_rot_index,
bool  calc_rot_freq,
ObjexxFCL::FArray1D< PackerEnergy > &  rot_freq 
)
protocols::flexpack::annealer::FlexbbSimAnnealer::~FlexbbSimAnnealer ( )
virtual
protocols::flexpack::annealer::FlexbbSimAnnealer::FlexbbSimAnnealer ( const FlexbbSimAnnealer rhs)
private

Member Function Documentation

bool protocols::flexpack::annealer::FlexbbSimAnnealer::pass_metropolis_multiple_nodes_changing ( PackerEnergy  previous_fragmentE,
PackerEnergy  deltaE,
Size  num_changing_nodes 
) const
protected

References pass_metropolis().

Referenced by run().

core::Size protocols::flexpack::annealer::FlexbbSimAnnealer::pick_a_rotamer ( Size  outercycle,
Size  innercycle,
Size  cycle_number,
utility::vector1< Size > &  accessible_state_list 
) const
protected
void protocols::flexpack::annealer::FlexbbSimAnnealer::run ( )

The FlexbbSimAnnealer operates with three submodes: mvsc_only : same as the fixbb mode, only consider moving the side chains mvbb_only : no movement with the side chain, but only move the backbone both_sc_and bb:default mode would be a combination of move side chain and backbone fragments

References fixbb_substitutions_scale, ig_, inner_iteration_scale, nn, option, outer_iteration_scale, pass_metropolis(), pass_metropolis_multiple_nodes_changing(), pick_a_rotamer(), pure_movebb_substitutions_scale, rotsets_, rotsub_movebb_substitutions_scale, temperature, and user.

Member Data Documentation

interaction_graph::FlexbbInteractionGraphOP protocols::flexpack::annealer::FlexbbSimAnnealer::ig_
private

Referenced by run().

rotamer_set::FlexbbRotamerSetsCOP protocols::flexpack::annealer::FlexbbSimAnnealer::rotsets_
private

Referenced by run().


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