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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::Interval
std::pair< double, double > Interval
Definition:
piecewiseFunction.h:23
BALL_CREATE
#define BALL_CREATE(name)
Definition:
create.h:62
BALL::PiecewisePolynomial
Definition:
piecewisePolynomial.h:27
BALL::RadialDistributionFunction::representation_
PiecewisePolynomial representation_
Definition:
radialDistributionFunction.h:128
BALL::RadialDistributionFunction
Definition:
radialDistributionFunction.h:22
BALL::operator==
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BALL_SIZE_TYPE
BALL::RadialDistributionFunction::valid_
bool valid_
Definition:
radialDistributionFunction.h:132
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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