Context Class Reference
A Context stores the complete state of a simulation.
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#include <Context.h>
List of all members.
Public Member Functions |
| Context (System &system, Integrator &integrator) |
| Construct a new Context in which to run a simulation.
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| Context (System &system, Integrator &integrator, Platform &platform) |
| Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used to perform calculations.
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| Context (System &system, Integrator &integrator, Platform &platform, const std::map< std::string, std::string > &properties) |
| Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used to perform calculations and the values of platform-specific properties.
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| ~Context () |
const System & | getSystem () const |
| Get System being simulated in this context.
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System & | getSystem () |
| Get System being simulated in this context.
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const Integrator & | getIntegrator () const |
| Get Integrator being used to by this context.
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Integrator & | getIntegrator () |
| Get Integrator being used to by this context.
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const Platform & | getPlatform () const |
| Get the Platform being used for calculations.
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Platform & | getPlatform () |
| Get the Platform being used for calculations.
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State | getState (int types) const |
| Get a State object recording the current state information stored in this context.
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void | setTime (double time) |
| Set the current time of the simulation (in picoseconds).
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void | setPositions (const std::vector< Vec3 > &positions) |
| Set the positions of all particles in the System (measured in nm).
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void | setVelocities (const std::vector< Vec3 > &velocities) |
| Set the velocities of all particles in the System (measured in nm/picosecond).
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double | getParameter (const std::string &name) |
| Get the value of an adjustable parameter defined by a Force object in the System.
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void | setParameter (const std::string &name, double value) |
| Set the value of an adjustable parameter defined by a Force object in the System.
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void | reinitialize () |
| When a Context is created, it may cache information about the System being simulated and the Force objects contained in it.
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Friends |
class | Platform |
Detailed Description
A Context stores the complete state of a simulation.
More specifically, it includes:
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The current time
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The position of each particle
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The velocity of each particle
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The values of configurable parameters defined by Force objects in the System
You can retrieve a snapshot of the current state at any time by calling getState(). This allows you to record the state of the simulation at various points, either for analysis or for checkpointing. getState() can also be used to retrieve the current forces on each particle and the current energy of the System.
Constructor & Destructor Documentation
Construct a new Context in which to run a simulation.
- Parameters:
-
Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used to perform calculations.
- Parameters:
-
| system | the System which will be simulated |
| integrator | the Integrator which will be used to simulate the System |
| platform | the Platform to use for calculations |
Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used to perform calculations and the values of platform-specific properties.
- Parameters:
-
| system | the System which will be simulated |
| integrator | the Integrator which will be used to simulate the System |
| platform | the Platform to use for calculations |
| properties | a set of values for platform-specific properties. Keys are the property names. |
Member Function Documentation
double getParameter |
( |
const std::string & |
name |
) |
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Get the value of an adjustable parameter defined by a Force object in the System.
- Parameters:
-
| name | the name of the parameter to get |
Get the Platform being used for calculations.
Get the Platform being used for calculations.
State getState |
( |
int |
types |
) |
const |
Get a State object recording the current state information stored in this context.
- Parameters:
-
Get System being simulated in this context.
const System& getSystem |
( |
|
) |
const |
Get System being simulated in this context.
When a Context is created, it may cache information about the System being simulated and the Force objects contained in it.
This means that, if the System or Forces are then modified, the Context might not see all of the changes. Call reinitialize() to force the Context to rebuild its internal representation of the System and pick up any changes that have been made.
This is an expensive operation, so you should try to avoid calling it too frequently.
void setParameter |
( |
const std::string & |
name, |
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double |
value | |
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) |
| | |
Set the value of an adjustable parameter defined by a Force object in the System.
- Parameters:
-
| name | the name of the parameter to set |
| value | the value of the parameter |
void setPositions |
( |
const std::vector< Vec3 > & |
positions |
) |
|
Set the positions of all particles in the System (measured in nm).
- Parameters:
-
| positions | a vector whose length equals the number of particles in the System. The i'th element contains the position of the i'th particle. |
void setTime |
( |
double |
time |
) |
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Set the current time of the simulation (in picoseconds).
void setVelocities |
( |
const std::vector< Vec3 > & |
velocities |
) |
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Set the velocities of all particles in the System (measured in nm/picosecond).
- Parameters:
-
| velocities | a vector whose length equals the number of particles in the System. The i'th element contains the velocity of the i'th particle. |
Friends And Related Function Documentation
The documentation for this class was generated from the following file: