BALL
1.5.0
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include
BALL
STRUCTURE
radialDistributionFunction.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
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#define BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
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#ifndef BALL_MATHS_PPOLYNOMIAL_H
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# include <
BALL/MATHS/piecewisePolynomial.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
RadialDistributionFunction
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{
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public
:
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BALL_CREATE
(
RadialDistributionFunction
)
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RadialDistributionFunction
()
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;
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RadialDistributionFunction
(const
RadialDistributionFunction
& rdf)
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;
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RadialDistributionFunction
(const
PiecewisePolynomial
& polynomial)
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;
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virtual ~
RadialDistributionFunction
()
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;
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const
RadialDistributionFunction
& operator = (const
RadialDistributionFunction
& rdf)
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;
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virtual
void
clear()
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;
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void
setRepresentation(const
PiecewisePolynomial
& polynomial)
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;
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const
PiecewisePolynomial
& getRepresentation() const
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;
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const
Interval
& getRange() const
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;
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virtual
double
operator () (
double
x) const
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;
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bool
isInRange(
double
x) const
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;
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bool
isValid() const
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;
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bool
operator == (const
RadialDistributionFunction
& rdf) const
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;
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virtual
void
dump (
std
::ostream& s =
std
::cout,
Size
depth = 0) const
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;
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protected:
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/*_ The representation of the RDF.
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*/
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PiecewisePolynomial
representation_;
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/*_ The valid flag.
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*/
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bool
valid_;
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};
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}
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#endif
// BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
piecewisePolynomial.h
BALL_CREATE
#define BALL_CREATE(name)
Definition
create.h:62
std
STL namespace.
BALL
Definition
constants.h:13
BALL::Interval
std::pair< double, double > Interval
Definition
piecewiseFunction.h:23
BALL::PiecewisePolynomial
Definition
piecewisePolynomial.h:29
BALL::RadialDistributionFunction
Definition
radialDistributionFunction.h:23
BALL_SIZE_TYPE
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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