PROFASI  Version 1.5
Classes
PROFASI trajectory module
Utilities

Interface to trajectory files in PROFASI This module contains a set of classes to manage interpretation of trajectories (PROFASI trajectory files) . More...

Collaboration diagram for PROFASI trajectory module:

Classes

class  prf_traj::prf_raw_conf
 Reader for PROFASI's raw binary data format. More...
 
class  prf_traj::TrajIterator
 Iterator to browse trajectories. More...
 
class  prf_traj::Trajectory
 PROFASI (multi-segment) trajectories. More...
 
class  prf_traj::TrajSeg
 A segment of a trajectory. More...
 
class  prf_traj::TrajSnapshot
 Snapshot of program state. More...
 

Detailed Description

The class prf_traj::Trajectory provides an interface to such a trajectory saved from a previous run. Each point along the trajectory is called a snapshot, represented by the prf_traj::TrajSnapshot class. One can think of a Trajectory object as if it were a very restricted version of the standard library list with TrajSnapshot elements. The access is read-only, with sequencial iterators given by the TrajIterator class. Functions begin(), end() and find() are used to browse trajectories. Behind the scene, the Trajectory object handles a lot of complications.

The segments of the trajectory are internally handled by objects of the class prf_traj::TrajSeg . The TrajSeg objects again depend on lower level structures to actually interpret the binary data in the segment data files. But they insulate the Trajectory class from all such low level details. The dirty work of reading binary bytes and interpreting them as energy values or coordinate values is done by prf_raw_conf . It uses knowledge of the data layout to interpret the bytes. In principle, the prf_raw_conf can be replaced by an optional alternative format interpreter, without changing much in the Trajectory class. In the future, alternatives to PROFASI's own binary format, such as the HDF5 format for binary data storage may be preferred.

See Also
PROFASI trajectory 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