BALL::RDFIntegrator Class Reference
[Radial Distribution Functions]
#include <BALL/STRUCTURE/RDFIntegrator.h>
Public Member Functions | |
Constructors and destructors | |
| RDFIntegrator () | |
| RDFIntegrator (const RDFIntegrator &integrator) | |
| RDFIntegrator (const RadialDistributionFunction &rdf) | |
| virtual | ~RDFIntegrator () |
Assignment | |
| const RDFIntegrator & | operator= (const RDFIntegrator &integrator) |
| virtual void | clear () |
| bool | operator== (const RDFIntegrator &integrator) const |
Predicates. | |
| virtual bool | isValid () const |
| void | setRDF (const RadialDistributionFunction &rdf) |
Accessors. | |
| const RadialDistributionFunction & | getRDF () const |
| virtual double | operator() (double x) const |
Protected Attributes | |
| RadialDistributionFunction | rdf_ |
| bool | valid_ |
Detailed Description
Integrator class for radial distribution functions. This class provides the integration functionality needed for the computation of interaction energies.
Constructor & Destructor Documentation
| BALL::RDFIntegrator::RDFIntegrator | ( | ) |
Default constructor
| BALL::RDFIntegrator::RDFIntegrator | ( | const RDFIntegrator & | integrator | ) |
Copy constructor.
- Parameters:
-
integrator the integrator to copy from
| BALL::RDFIntegrator::RDFIntegrator | ( | const RadialDistributionFunction & | rdf | ) |
Detailed constructor.
- Parameters:
-
rdf the radial distribution function to initialize this with
| virtual BALL::RDFIntegrator::~RDFIntegrator | ( | ) | [virtual] |
Destructor
Member Function Documentation
| virtual void BALL::RDFIntegrator::clear | ( | ) | [virtual] |
Clear function.
Reimplemented in BALL::Pair6_12RDFIntegrator, and BALL::PairExpRDFIntegrator.
| const RadialDistributionFunction& BALL::RDFIntegrator::getRDF | ( | ) | const |
Get the radial distribution function of this instance.
- Returns:
- a const reference to the radial distribution function
| virtual bool BALL::RDFIntegrator::isValid | ( | ) | const [virtual] |
Validity test. Return the valid flag.
- Returns:
- true, if this instance is valid.
Compute the value of the integral at a given x. This function should not be called, because it is merely a sort of prototype defining interface for derived classes. It always returns 0.0.
- Parameters:
-
x the lower limit of the integration
- Returns:
- always 0.0
Reimplemented in BALL::Pair6_12RDFIntegrator, and BALL::PairExpRDFIntegrator.
| const RDFIntegrator& BALL::RDFIntegrator::operator= | ( | const RDFIntegrator & | integrator | ) |
Assignment operator.
- Parameters:
-
integrator the integrator to assign from
- Returns:
- a constant reference to this
| bool BALL::RDFIntegrator::operator== | ( | const RDFIntegrator & | integrator | ) | const |
Predicates.
Equality operator
- Parameters:
-
integrator the integrator which we want to compare to {this}
- Returns:
- true, if the instances are equal, false ow.
| void BALL::RDFIntegrator::setRDF | ( | const RadialDistributionFunction & | rdf | ) |
Accessors.
Set the radial distribution function of this instance.
- Parameters:
-
rdf a radial distribution function
- See also:
- RadialDistributionFunction
Member Data Documentation
RadialDistributionFunction BALL::RDFIntegrator::rdf_ [protected] |
bool BALL::RDFIntegrator::valid_ [protected] |