BALL::RDFIntegrator Class Reference
[Radial
Distribution Functions]
Integrator class
for radial distribution functions. More...
#include <RDFIntegrator.h>
Inheritance diagram for BALL::RDFIntegrator:
[legend]
Public Member Functions |
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Constructors and destructors
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| RDFIntegrator () | |
| Default constructor. |
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| RDFIntegrator (const RDFIntegrator &integrator) | |
| Copy constructor. |
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| RDFIntegrator (const RadialDistributionFunction &rdf) | |
| Detailed constructor. |
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| virtual | ~RDFIntegrator () |
| Destructor. |
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Assignment
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| const RDFIntegrator & | operator= (const RDFIntegrator &integrator) |
| Assignment operator. |
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| virtual void | clear () |
| Clear function. |
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| bool | operator== (const RDFIntegrator &integrator) const |
| Predicates. |
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| virtual bool | isValid () const |
| Validity test. |
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| void | setRDF (const RadialDistributionFunction &rdf) |
| Accessors. |
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| const RadialDistributionFunction & | getRDF () const |
| Get the radial distribution function
of this instance. |
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| virtual double | operator() (double x) const |
| Compute the value of the integral at
a given x. |
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Protected Attributes |
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| 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 | ( | 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
Member Function Documentation
| 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.
| virtual double BALL::RDFIntegrator::operator() | ( | double | x | ) | const [virtual] |
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:
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integrator the integrator to assign from
- Returns:
- a constant reference to this
| bool BALL::RDFIntegrator::operator== | ( | const RDFIntegrator & | integrator | ) | const |
Predicates.
Equality operator
- Parameters:
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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:
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rdf a radial distribution function
- See also:
- RadialDistributionFunction
