BALL
1.5.0
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include
BALL
QSAR
surfaceBase.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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//
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#ifndef BALL_QSAR_SURFACEBASE_H
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#define BALL_QSAR_SURFACEBASE_H
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#ifndef BALL_QSAR_DESCRIPTOR_H
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#include <
BALL/QSAR/descriptor.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
SurfaceBase
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:
public
Descriptor
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{
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public
:
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BALL_CREATE
(
SurfaceBase
)
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SurfaceBase
();
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SurfaceBase
(const
SurfaceBase
&
sb
);
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SurfaceBase
(const
String
& name);
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SurfaceBase
(const
String
& name, const
String
& unit);
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virtual ~
SurfaceBase
();
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void
computeAllDescriptors(
AtomContainer
& ac);
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SurfaceBase
& operator = (const
SurfaceBase
&
sb
);
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protected:
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bool
isValid_(
AtomContainer
& ac);
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void
calculate_(
AtomContainer
& ac);
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};
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}
// namespace BALL
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#endif
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sb
sb
Definition
GAFFTypeProcessor.h:72
BALL_CREATE
#define BALL_CREATE(name)
Definition
create.h:62
descriptor.h
BALL
Definition
constants.h:13
BALL::String
Definition
string.h:57
BALL::AtomContainer
Definition
atomContainer.h:32
BALL::Descriptor
Definition
descriptor.h:27
BALL::SurfaceBase
Definition
surfaceBase.h:20
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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