#include <BALL/STRUCTURE/radialDistributionFunction.h>
Public Member Functions | |
Constructors and Destructor. | |
| RadialDistributionFunction () | |
| RadialDistributionFunction (const RadialDistributionFunction &rdf) | |
| RadialDistributionFunction (const PiecewisePolynomial &polynomial) | |
| virtual | ~RadialDistributionFunction () |
Assignment. | |
| const RadialDistributionFunction & | operator= (const RadialDistributionFunction &rdf) |
| virtual void | clear () |
Accessors. | |
| void | setRepresentation (const PiecewisePolynomial &polynomial) |
| const PiecewisePolynomial & | getRepresentation () const |
| const Interval & | getRange () const |
| virtual double | operator() (double x) const |
Predicates. | |
| bool | isInRange (double x) const |
| bool | isValid () const |
| bool | operator== (const RadialDistributionFunction &rdf) const |
| virtual void | dump (std::ostream &s=std::cout, Size depth=0) const |
Protected Attributes | |
| PiecewisePolynomial | representation_ |
| bool | valid_ |
Radial distribution function. This class provides an interface for the use of radial distribution functions. These functions describe the deviation of the number density in a real fluid from the ideal (isotropic) case. The representation of such a function is a piecewise polynomial obtained by smoothing spline fit from molecular dynamics simulation.
| BALL::RadialDistributionFunction::RadialDistributionFunction | ( | ) |
Default constructor.
| BALL::RadialDistributionFunction::RadialDistributionFunction | ( | const RadialDistributionFunction & | rdf | ) |
Copy constructor.
| BALL::RadialDistributionFunction::RadialDistributionFunction | ( | const PiecewisePolynomial & | polynomial | ) |
Detailed constructor.
| virtual BALL::RadialDistributionFunction::~RadialDistributionFunction | ( | ) | [virtual] |
Destructor.
| virtual void BALL::RadialDistributionFunction::clear | ( | ) | [virtual] |
Clear function.
| virtual void BALL::RadialDistributionFunction::dump | ( | std::ostream & | s = std::cout, |
|
| Size | depth = 0 | |||
| ) | const [virtual] |
Debugging and Diagnostics. Dumps the whole content of the object.
| const Interval& BALL::RadialDistributionFunction::getRange | ( | ) | const |
Get the range of the representing function.
| const PiecewisePolynomial& BALL::RadialDistributionFunction::getRepresentation | ( | ) | const |
Get the representation of the RDF.
Check, whether a given x is in the range of the RDF.
| bool BALL::RadialDistributionFunction::isValid | ( | ) | const |
Check validity.
Compute the value of the distribution function at a given x.
| const RadialDistributionFunction& BALL::RadialDistributionFunction::operator= | ( | const RadialDistributionFunction & | rdf | ) |
Assignment operator.
| bool BALL::RadialDistributionFunction::operator== | ( | const RadialDistributionFunction & | rdf | ) | const |
Equality operator.
| void BALL::RadialDistributionFunction::setRepresentation | ( | const PiecewisePolynomial & | polynomial | ) |
Set the representing PiecewisePolynomial.
bool BALL::RadialDistributionFunction::valid_ [protected] |