Integrator Class Reference
An Integrator defines a method for simulating a System by integrating the equations of motion. More...
#include <Integrator.h>
Public Member Functions | |
| virtual | ~Integrator () |
| double | getStepSize () const |
| Get the size of each time step, in picoseconds. | |
| void | setStepSize (double size) |
| Set the size of each time step, in picoseconds. | |
| double | getConstraintTolerance () const |
| Get the distance tolerance within which constraints are maintained, as a fraction of the constrained distance. | |
| void | setConstraintTolerance (double tol) |
| Set the distance tolerance within which constraints are maintained, as a fraction of the constrained distance. | |
| virtual void | step (int steps)=0 |
| Advance a simulation through time by taking a series of time steps. | |
Protected Member Functions | |
| virtual void | initialize (ContextImpl &context)=0 |
| This will be called by the Context when it is created. | |
| virtual std::vector< std::string > | getKernelNames ()=0 |
| Get the names of all Kernels used by this Integrator. | |
| virtual void | stateChanged (State::DataType changed) |
| This will be called by the Context when the user modifies aspects of the context state, such as positions, velocities, or parameters. | |
Friends | |
| class | ContextImpl |
Detailed Description
An Integrator defines a method for simulating a System by integrating the equations of motion.
This is an abstract class. Subclasses define particular integration methods.
Each Integrator object is bound to a particular Context which it integrates. This connection is specified by passing the Integrator as an argument to the constructor of the Context.
Constructor & Destructor Documentation
| virtual ~Integrator | ( | ) | [inline, virtual] |
Member Function Documentation
| double getConstraintTolerance | ( | ) | const [inline] |
Get the distance tolerance within which constraints are maintained, as a fraction of the constrained distance.
| virtual std::vector<std::string> getKernelNames | ( | ) | [protected, pure virtual] |
Get the names of all Kernels used by this Integrator.
Implemented in BrownianIntegrator, CustomIntegrator, LangevinIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator, and VerletIntegrator.
| double getStepSize | ( | ) | const [inline] |
Get the size of each time step, in picoseconds.
If this integrator uses variable time steps, the size of the most recent step is returned.
- Returns:
- the step size, measured in ps
| virtual void initialize | ( | ContextImpl & | context | ) | [protected, pure virtual] |
This will be called by the Context when it is created.
It informs the Integrator of what context it will be integrating, and gives it a chance to do any necessary initialization. It will also get called again if the application calls reinitialize() on the Context.
Implemented in BrownianIntegrator, CustomIntegrator, LangevinIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator, and VerletIntegrator.
| void setConstraintTolerance | ( | double | tol | ) | [inline] |
Set the distance tolerance within which constraints are maintained, as a fraction of the constrained distance.
| void setStepSize | ( | double | size | ) | [inline] |
Set the size of each time step, in picoseconds.
If this integrator uses variable time steps, the effect of calling this method is undefined, and it may simply be ignored.
- Parameters:
-
size the step size, measured in ps
| virtual void stateChanged | ( | State::DataType | changed | ) | [inline, protected, virtual] |
This will be called by the Context when the user modifies aspects of the context state, such as positions, velocities, or parameters.
This gives the Integrator a chance to discard cached information. This is only called when the user modifies information using methods of the Context object. It is not called when a ForceImpl object modifies state information in its updateContextState() method (unless the ForceImpl calls a Context method to perform the modification).
- Parameters:
-
changed this specifies what aspect of the Context was changed
Reimplemented in CustomIntegrator.
| virtual void step | ( | int | steps | ) | [pure virtual] |
Advance a simulation through time by taking a series of time steps.
- Parameters:
-
steps the number of time steps to take
Implemented in BrownianIntegrator, CustomIntegrator, LangevinIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator, and VerletIntegrator.
Friends And Related Function Documentation
friend class ContextImpl [friend] |
The documentation for this class was generated from the following file:
