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DCDReporter Class Reference

DCDReporter outputs a series of frames from a Simulation to a DCD file. More...

+ Inheritance diagram for DCDReporter:

Public Member Functions

def __init__
 Create a DCDReporter. More...
 
def describeNextReport
 Get information about the next report this object will generate. More...
 
def report
 Generate a report. More...
 
def __del__
 

Detailed Description

DCDReporter outputs a series of frames from a Simulation to a DCD file.

To use it, create a DCDReporter, then add it to the Simulation's list of reporters.

Constructor & Destructor Documentation

def __init__ (   self,
  file,
  reportInterval 
)

Create a DCDReporter.

Parameters
file(string) The file to write to
reportInterval(int) The interval (in time steps) at which to write frames

References DCDReporter._dcd, DCDReporter._out, and DCDReporter._reportInterval.

def __del__ (   self)

Member Function Documentation

def describeNextReport (   self,
  simulation 
)

Get information about the next report this object will generate.

Parameters
simulation(Simulation) The Simulation to generate a report for
Returns
A five element tuple. The first element is the number of steps until the next report. The remaining elements specify whether that report will require positions, velocities, forces, and energies respectively.

References DCDReporter._reportInterval.

def report (   self,
  simulation,
  state 
)

Generate a report.

Parameters
simulation(Simulation) The Simulation to generate a report for
state(State) The current state of the simulation

References DCDReporter._dcd, DCDReporter._out, and DCDReporter._reportInterval.


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