PROFASI  Version 1.5
Public Member Functions | List of all members
prf_traj::prf_raw_conf Class Reference

Reader for PROFASI's raw binary data format. More...

#include <prf_raw_conf.hh>

Public Member Functions

void set_file (std::string st)
 Set data file.
 
std::string get_filename ()
 Retrieve data file name.
 
bool init ()
 Parse headers and file metadata.
 
unsigned n_blocks ()
 Number of blocks or snapshots in the file.
 
unsigned n_coordinates () const
 Number of DOFs stored in each snapshots.
 
bool get_block (unsigned iblk, TrajSnapshot &snp)
 Retrieve the iblk'th snapshot in the file.
 
bool sleep ()
 Close file handle but keep all information about the file.
 
bool wake_up ()
 (Re-)open file and perform initialisation if necessary
 
prf_xml::XML_Nodexml_map ()
 Return an XML map of information about all snapshots.
 
void set_info_file (std::string st)
 Set "info" file containing header.
 

Detailed Description

This class interprets the binary format in which PROFASI usually stores its trajectory information. It is not meant to be instantiated directly but only as a back-end for prf_traj::TrajSeg class, which is created in the background by the prf_traj::Trajectory class. This class also serves as a "template" on which readers for alternative binary formats should be written, so that they are directly usable as interpreters for parts of PROFASI trajectories.

See Also
prf_traj::Trajectory, prf_traj::TrajSeg

Member Function Documentation

bool prf_raw_conf::init ( )

This function reads the header section of the file and determines information about the snapshots stored, such as byte order, size of different kinds of numbers in bytes, but also sequences of the chains in the system. It then determines the starting and ending MC cycles in the file and the number of snapshots stored.

void prf_traj::prf_raw_conf::set_info_file ( std::string  st)
inline

A separate info file is no longer required in PROFASI since version 1.4. To interpret older configurations without inline headers it normally suffices to look for an info file by the name "conf.info" in the same directory as the data file. If a different info file is desired for some reason, this function can be used.


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