haighMallionShiftProcessor.h

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: haighMallionShiftProcessor.h,v 1.16 2005/12/23 17:01:56 amoll Exp $
//

#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif

#ifndef BALL_CONCEPT_PROCESSOR_H
# include <BALL/CONCEPT/processor.h>
#endif

#ifndef BALL_NMR_SHIFT_MODULE_H
# include<BALL/NMR/shiftModule.h>
#endif

#include <list>

namespace BALL 
{
  class BALL_EXPORT HaighMallionShiftProcessor
    : public ShiftModule
  {
    public:

    BALL_CREATE(HaighMallionShiftProcessor)
    
    

    static const char* PROPERTY__RING_CURRENT_SHIFT;
    


    HaighMallionShiftProcessor();
    
    virtual ~HaighMallionShiftProcessor();
    

        
    virtual bool finish();

    virtual Processor::Result operator () (Composite& atom);



    virtual void init();

    
    private:
    
    std::list<Atom*> proton_list_;  
    std::list<Residue*> aromat_list_;
    String **asrings_;

    static const float big_loop_radius_;
    static const float little_loop_radius_;
    static const float B_;
  };
  
} // namespace BALL

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