BALL 1.5.0
anisotropyShiftProcessor.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// $Id: anisotropyShiftProcessor.h,v 1.20.20.1 2007/08/07 17:22:59 aleru Exp $
5//
6
7#ifndef BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
8#define BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
9
10#ifndef BALL_KERNEL_BOND_H
11# include <BALL/KERNEL/bond.h>
12#endif
13
14#ifndef BALL_KERNEL_ATOM_H
15# include<BALL/KERNEL/atom.h>
16#endif
17
18#ifndef BALL_NMR_SHIFT_MODULE_H
20#endif
21
22#include <list>
23
24namespace BALL
25{
30 : public ShiftModule
31 {
32 public:
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40
43 static const char* PROPERTY__ANISOTROPY_SHIFT;
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122 virtual bool finish();
123
135 virtual Processor::Result operator() (Composite& composite);
136
138
141
144 virtual void init();
145
147
148 protected:
149 std::list<const Atom*> proton_list_;
150 std::list<const Bond*> eff_list_;
151 std::list<const Bond*> eff_list_2_;
152 bool ignore_other_chain_;
153 };
154
155} // namespace BALL
156
157#endif // BALL_NMR_ANISOTROPYSHIFTPROCESSOR_H
#define BALL_CREATE(name)
Definition: create.h:62
STL namespace.
Definition: constants.h:13
#define BALL_EXPORT
Definition: COMMON/global.h:50