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anisotropyShiftProcessor.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: anisotropyShiftProcessor.h,v 1.20.20.1 2007/08/07 17:22:59 aleru Exp $
//
#ifndef BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
#define BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
#ifndef BALL_KERNEL_BOND_H
# include <BALL/KERNEL/bond.h>
#endif
#ifndef BALL_KERNEL_ATOM_H
# include<BALL/KERNEL/atom.h>
#endif
#ifndef BALL_NMR_SHIFT_MODULE_H
# include<BALL/NMR/shiftModule.h>
#endif
#include <list>
namespace BALL
{
class BALL_EXPORT AnisotropyShiftProcessor
: public ShiftModule
{
public:
BALL_CREATE(AnisotropyShiftProcessor)
static const char* PROPERTY__ANISOTROPY_SHIFT;
AnisotropyShiftProcessor();
AnisotropyShiftProcessor(const AnisotropyShiftProcessor& processor);
virtual ~AnisotropyShiftProcessor();
virtual bool finish();
virtual Processor::Result operator() (Composite& composite);
virtual void init();
protected:
std::list<const Atom*> proton_list_;
std::list<const Bond*> eff_list_;
std::list<const Bond*> eff_list_2_;
bool ignore_other_chain_;
};
} // namespace BALL
#endif // BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
atom.h
bond.h
BALL::AnisotropyShiftProcessor::proton_list_
std::list< const Atom * > proton_list_
Definition anisotropyShiftProcessor.h:149
BALL::AnisotropyShiftProcessor::eff_list_2_
std::list< const Bond * > eff_list_2_
Definition anisotropyShiftProcessor.h:151
BALL::AnisotropyShiftProcessor::finish
virtual bool finish()
BALL::AnisotropyShiftProcessor::AnisotropyShiftProcessor
AnisotropyShiftProcessor()
BALL::AnisotropyShiftProcessor::ignore_other_chain_
bool ignore_other_chain_
Definition anisotropyShiftProcessor.h:152
BALL::AnisotropyShiftProcessor::PROPERTY__ANISOTROPY_SHIFT
static const char * PROPERTY__ANISOTROPY_SHIFT
Definition anisotropyShiftProcessor.h:43
BALL::AnisotropyShiftProcessor::init
virtual void init()
BALL::AnisotropyShiftProcessor::eff_list_
std::list< const Bond * > eff_list_
Definition anisotropyShiftProcessor.h:150
BALL::Atom
Definition atom.h:90
BALL::Bond
Definition bond.h:57
BALL::Composite
Definition composite.h:74
BALL::Processor
Definition processor.h:32
BALL::Result
Definition result.h:22
BALL::ShiftModule::ShiftModule
ShiftModule()
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13
std
STL namespace.
shiftModule.h