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include
BALL
STRUCTURE
RDFIntegrator.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_RDFINTEGRATOR_H
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#define BALL_STRUCTURE_RDFINTEGRATOR_H
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#ifndef BALL_STRUCTURE_RADIALDISTRIBUTIONFUNCTION_H
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# include <
BALL/STRUCTURE/radialDistributionFunction.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
RDFIntegrator
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{
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public
:
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BALL_CREATE
(
RDFIntegrator
)
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RDFIntegrator
()
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;
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RDFIntegrator
(
const
RDFIntegrator
& integrator)
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;
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RDFIntegrator
(
const
RadialDistributionFunction
& rdf)
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;
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virtual
~
RDFIntegrator
()
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;
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const
RDFIntegrator
& operator = (
const
RDFIntegrator
& integrator)
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;
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virtual
void
clear()
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;
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bool
operator ==
(
const
RDFIntegrator
& integrator)
const
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;
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virtual
bool
isValid()
const
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;
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void
setRDF(
const
RadialDistributionFunction
& rdf)
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;
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const
RadialDistributionFunction
& getRDF()
const
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;
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virtual
double
operator () (
double
x)
const
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;
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protected
:
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//_ The radial distribution function which is to be integrated.
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RadialDistributionFunction
rdf_
;
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/*_ A flag indicating validity of this instance. A sole RDFIntegrator
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instance cannot be valid, because it does not have any information
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about the potential for which it should be the integrating means.
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This flag is provided for derived classes.
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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_RDFINTEGRATOR_H
BALL_CREATE
#define BALL_CREATE(name)
Definition:
create.h:62
BALL::RDFIntegrator::valid_
bool valid_
Definition:
RDFIntegrator.h:123
BALL::RadialDistributionFunction
Definition:
radialDistributionFunction.h:22
BALL::operator==
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BALL::RDFIntegrator
Definition:
RDFIntegrator.h:19
BALL::RDFIntegrator::rdf_
RadialDistributionFunction rdf_
Definition:
RDFIntegrator.h:116
radialDistributionFunction.h
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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