PROFASI  Version 1.5
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prf_traj::Trajectory Class Reference

PROFASI (multi-segment) trajectories. More...

#include <Trajectory.hh>

Detailed Description

This class provides an STL list like interface to a PROFASI trajectory. Each element of this fictitious list is a TrajSnapshot. The list can be browsed using a TrajIterator from "begin()" to "end()". There is also a "find()" function to locate a snapshot with a particular MC time.

Internally, this class is a collection of TrajSeg objects representing different segments of a run. It parses a "traj" file to decide what segments make up the trajectory, and the cycle limits assigned to each segment. Typical use:

prf_traj::Trajectory traj;
traj.parse("somedirectory/traj");
if (traj.init()) {
    for (prf_traj::Trajectory::iterator it=traj.begin();
         it!=traj.end();++it) {
         prf::cout<<"Time = "<<it->MC_time()
                  <<", energy = "<<it->energy()<<"\n";
         //Or do something else with the snapshot represented by
         //(*it)
    }
}
See Also
prf_traj::TrajSnapshot, prf_traj::TrajSeg

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