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protocols::helical_bundle_predict::HBP_MoveGenerator Class Referenceabstract

A base class for a module to generate ParsedProtocols for the next move in a Monte Carlo trajectory, based on the current state of the pose. More...

#include <HBP_MoveGenerator.hh>

Inheritance diagram for protocols::helical_bundle_predict::HBP_MoveGenerator:
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Public Member Functions

 HBP_MoveGenerator ()
 Constructor. More...
 
 HBP_MoveGenerator (HBP_MoveGenerator const &src)
 Copy constructor. More...
 
 ~HBP_MoveGenerator () override
 Destructor. More...
 
virtual HBP_MoveGeneratorOP clone () const =0
 Clone this object: that is, make a copy and return an owning pointer to the copy. More...
 
virtual
protocols::rosetta_scripts::ParsedProtocolOP 
generate_monte_carlo_move (core::Size const current_step, core::Size const num_steps, core::pose::Pose const &pose) const =0
 Given the current step index, the total number of steps in the trajectory, and the pose for analysis, construct a ParsedProtocol of things to do to this pose for this move in the Monte Carlo trajectory. More...
 
virtual void mark_move_accepted () const
 Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is accepted. More...
 
virtual void mark_move_rejected () const
 Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is rejected. More...
 
void set_current_round (core::Size const setting)
 Set the current round. More...
 
void set_max_rounds (core::Size const setting)
 Set the total nunmber of rounds. More...
 
core::Size current_round () const
 Get the current round. More...
 
core::Size max_rounds () const
 Get the maximum number of rounds. More...
 

Private Attributes

core::Size current_round_
 This trajectory is which round in the series of trajectories? More...
 
core::Size max_rounds_
 How many rounds (i.e. trajectories) are there ultimately? More...
 

Detailed Description

A base class for a module to generate ParsedProtocols for the next move in a Monte Carlo trajectory, based on the current state of the pose.

Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org).

Constructor & Destructor Documentation

protocols::helical_bundle_predict::HBP_MoveGenerator::HBP_MoveGenerator ( )

Constructor.

protocols::helical_bundle_predict::HBP_MoveGenerator::HBP_MoveGenerator ( HBP_MoveGenerator const &  src)

Copy constructor.

protocols::helical_bundle_predict::HBP_MoveGenerator::~HBP_MoveGenerator ( )
override

Destructor.

Member Function Documentation

virtual HBP_MoveGeneratorOP protocols::helical_bundle_predict::HBP_MoveGenerator::clone ( ) const
pure virtual

Clone this object: that is, make a copy and return an owning pointer to the copy.

Implemented in protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator, and protocols::helical_bundle_predict::HBP_HelixCoilMoveGenerator.

core::Size protocols::helical_bundle_predict::HBP_MoveGenerator::current_round ( ) const
inline

Get the current round.

References current_round_.

virtual protocols::rosetta_scripts::ParsedProtocolOP protocols::helical_bundle_predict::HBP_MoveGenerator::generate_monte_carlo_move ( core::Size const  current_step,
core::Size const  num_steps,
core::pose::Pose const &  pose 
) const
pure virtual

Given the current step index, the total number of steps in the trajectory, and the pose for analysis, construct a ParsedProtocol of things to do to this pose for this move in the Monte Carlo trajectory.

Pure virtual. Must be implemented by derived classes.

Implemented in protocols::helical_bundle_predict::HBP_HelixCoilMoveGenerator, and protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator.

void protocols::helical_bundle_predict::HBP_MoveGenerator::mark_move_accepted ( ) const
virtual

Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is accepted.

Reimplemented in protocols::helical_bundle_predict::HBP_HelixCoilMoveGenerator.

void protocols::helical_bundle_predict::HBP_MoveGenerator::mark_move_rejected ( ) const
virtual

Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is rejected.

core::Size protocols::helical_bundle_predict::HBP_MoveGenerator::max_rounds ( ) const
inline

Get the maximum number of rounds.

References max_rounds_.

void protocols::helical_bundle_predict::HBP_MoveGenerator::set_current_round ( core::Size const  setting)

Set the current round.

References current_round_, and max_rounds_.

void protocols::helical_bundle_predict::HBP_MoveGenerator::set_max_rounds ( core::Size const  setting)

Set the total nunmber of rounds.

Set the total number of rounds.

References current_round_, and max_rounds_.

Member Data Documentation

core::Size protocols::helical_bundle_predict::HBP_MoveGenerator::current_round_
private

This trajectory is which round in the series of trajectories?

Referenced by current_round(), set_current_round(), and set_max_rounds().

core::Size protocols::helical_bundle_predict::HBP_MoveGenerator::max_rounds_
private

How many rounds (i.e. trajectories) are there ultimately?

Referenced by max_rounds(), set_current_round(), and set_max_rounds().


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