Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
protocols::loop_modeling::loggers::ScoreVsRmsd Class Reference

Report scores and RMSDs for every conformation that gets sampled. More...

#include <ScoreVsRmsd.hh>

Public Member Functions

 ScoreVsRmsd (Pose const &native, Loop const &loop)
 Constructor with native state and loop arguments. More...
 
void log_monte_carlo_ (protocols::moves::MonteCarlo const &monte_carlo)
 Record a score and RMSD for the given pose. More...
 
void log_ending_ (Pose const &pose)
 Write all the recorded data to a space-separated value file. More...
 
- Public Member Functions inherited from protocols::loop_modeling::loggers::Logger
void log_beginning (Pose const &pose, Size I, Size J, Size K)
 Record the beginning of a simulation. More...
 
void log_beginning (Pose const &pose, utility::vector1< Size > iterations)
 Record the beginning of a simulation. More...
 
void log_iteration (Pose const &pose, Size i, Size j, Size k)
 Record the start of another iteration. More...
 
void log_monte_carlo (protocols::moves::MonteCarlo const &monte_carlo)
 Record the result of a MonteCarlo acceptance check. More...
 
void log_monte_carlo (protocols::moves::MonteCarloCOP monte_carlo)
 Record the result of a MonteCarlo acceptance check. More...
 
void log_ending (Pose const &pose)
 Record the end of a simulation. More...
 

Private Attributes

Pose native_
 
Loops loops_
 
ScoreToRmsdMap map_
 
std::ofstream file_
 

Additional Inherited Members

- Protected Member Functions inherited from protocols::loop_modeling::loggers::Logger
virtual void log_beginning_ (Pose const &)
 Reimplemented by subclasses to record the beginning of a simulation. More...
 
virtual void log_iteration_ (Pose const &)
 Reimplemented by subclasses to record the start of another iteration. More...
 
Size get_iteration_as_int () const
 Return the current iteration as an integer. More...
 
Size get_max_iteration_as_int () const
 Return the number of iterations that will be run in the current simulation as an integer. More...
 
string get_iteration_as_string () const
 Return the current iteration as a string. More...
 
string get_max_iteration_as_string () const
 Return the number of iterations that will be run in the current simulation as an string. More...
 
Size get_num_digits (Size value) const
 Return the number of digits in the given number. More...
 

Detailed Description

Report scores and RMSDs for every conformation that gets sampled.

Constructor & Destructor Documentation

protocols::loop_modeling::loggers::ScoreVsRmsd::ScoreVsRmsd ( Pose const &  native,
Loop const &  loop 
)

Constructor with native state and loop arguments.

Note that while LoopProtocol can simultaneously sample any number of loops, this logger can only focus on one loop. So you may have to use several of these loggers to cover every loop in the simulation.

Member Function Documentation

void protocols::loop_modeling::loggers::ScoreVsRmsd::log_ending_ ( Pose const &  pose)
virtual

Write all the recorded data to a space-separated value file.

Reimplemented from protocols::loop_modeling::loggers::Logger.

References file, fixed, and pair.

void protocols::loop_modeling::loggers::ScoreVsRmsd::log_monte_carlo_ ( protocols::moves::MonteCarlo const &  monte_carlo)
virtual

Member Data Documentation

std::ofstream protocols::loop_modeling::loggers::ScoreVsRmsd::file_
private
Loops protocols::loop_modeling::loggers::ScoreVsRmsd::loops_
private
ScoreToRmsdMap protocols::loop_modeling::loggers::ScoreVsRmsd::map_
private
Pose protocols::loop_modeling::loggers::ScoreVsRmsd::native_
private

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