pytams.trajectory

Module Contents

Classes

Trajectory

A class defining a stochastic trajectory.

class pytams.trajectory.Trajectory(fmodel_t, parameters: dict, trajId: str)[source]

A class defining a stochastic trajectory.

Includes an instance of the forward model, current and end times, and a list of the model snapshots for each new maximum of the score function along the way.

setCheckFile(file: str) None[source]

Setter of the trajectory checkFile.

id() str[source]

Return trajectory Id.

advance(t_end: float = 1000000000000.0, walltime: float = 1000000000000.0) None[source]

Advance the trajectory to a prescribed end time.

Parameters:
  • t_end – the end time of the advance

  • walltime – a walltime limit to advance the model to t_end

classmethod restoreFromChk(chkPoint: str, fmodel_t, parameters: dict = None)[source]

Return a trajectory restored from an XML chkfile.

classmethod restartFromTraj(traj, rstId: str, score: float)[source]

Create a new trajectory.

Loading the beginning of a provided trajectory for all entries with score below a given score

Parameters:
  • traj – an already existing trajectory to restart from

  • rstId – the id of the trajectory being restarted

  • score – a threshold score

store(traj_file: str = None) None[source]

Store the trajectory to an XML chkfile.

ctime() float[source]

Return the current trajectory time.

stepSize() float[source]

Return the time step size.

scoreMax() float[source]

Return the maximum of the score function.

isConverged() bool[source]

Return True for converged trajectory.

hasEnded() bool[source]

Return True for terminated trajectory.

hasStarted() bool[source]

Return True if computation has started.

checkFile() str[source]

Return the trajectory check file name.