BALL
1.5.0
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include
BALL
NMR
anisotropyShiftProcessor.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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// $Id: anisotropyShiftProcessor.h,v 1.20.20.1 2007/08/07 17:22:59 aleru Exp $
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//
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#ifndef BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
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#define BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
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#ifndef BALL_KERNEL_BOND_H
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# include <
BALL/KERNEL/bond.h
>
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#endif
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#ifndef BALL_KERNEL_ATOM_H
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# include<
BALL/KERNEL/atom.h
>
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#endif
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#ifndef BALL_NMR_SHIFT_MODULE_H
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# include<
BALL/NMR/shiftModule.h
>
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#endif
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#include <list>
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namespace
BALL
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{
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class
BALL_EXPORT
AnisotropyShiftProcessor
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:
public
ShiftModule
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{
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public
:
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BALL_CREATE
(
AnisotropyShiftProcessor
)
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static const
char
* PROPERTY__ANISOTROPY_SHIFT;
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AnisotropyShiftProcessor
();
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AnisotropyShiftProcessor
(const
AnisotropyShiftProcessor
& processor);
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virtual ~
AnisotropyShiftProcessor
();
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virtual
bool
finish();
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virtual
Processor
::
Result
operator() (
Composite
& composite);
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virtual
void
init();
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protected:
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std
::list<const
Atom
*> proton_list_;
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std
::list<const
Bond
*> eff_list_;
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std
::list<const
Bond
*> eff_list_2_;
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bool
ignore_other_chain_;
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};
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}
// namespace BALL
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#endif
// BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
atom.h
bond.h
shiftModule.h
BALL_CREATE
#define BALL_CREATE(name)
Definition
create.h:62
std
STL namespace.
BALL
Definition
constants.h:13
BALL::Composite
Definition
composite.h:74
BALL::Processor
Definition
processor.h:32
BALL::Result
Definition
result.h:22
BALL::Atom
Definition
atom.h:90
BALL::Bond
Definition
bond.h:57
BALL::AnisotropyShiftProcessor
Definition
anisotropyShiftProcessor.h:31
BALL::ShiftModule
Definition
shiftModule.h:43
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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