PROFASI  Version 1.5
Public Member Functions | List of all members
SimAnnealRun Class Reference

Simulated annealing. More...

#include <SimAnnealRun.hh>

Inheritance diagram for SimAnnealRun:
Inheritance graph

Public Member Functions

int parseCommand (InstructionString s)
 Parse commands specific to simulated annealing.
- Public Member Functions inherited from BasicMCRun
int parseCommands (std::list< InstructionString > &cmds)
 Execute commands collected with getCommands.

Additional Inherited Members

- Protected Member Functions inherited from BasicMCRun
virtual void writeConf ()
 Write program state to PROFASI binary configuration file.
int recover (unsigned rcyc=(unsigned)-1)
 Restore the state of the run to a given point of a previous run.
FILE * open_segment (std::string prfx)
 Open a new conf.data___ file for a new simulation segment.
- Protected Attributes inherited from BasicMCRun
PopulationHandler PH
 A population handler.
ObsHandler H
 An observable handler.
RandomNumberHandler ranh
 A handler object for random numbers.
FFHandler ffh
 A force field handler.

Detailed Description

This class implements simulated annealing using ProFASi libraries. It is based on the class BasicMCRun. Most properties are directly inheritted. Only the temperature update method is implemented here as a cooling step. There is also a function to reset the system to the initial state at the start of each simulated annealing cycle. To see how to use the program, see SimAnnealRun program reference

See Also
SimAnnealRun program reference

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

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2