defaultProcessors.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_STRUCTURE_DEFAULTPROCESSORS_H
#define BALL_STRUCTURE_DEFAULTPROCESSORS_H

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

#ifndef BALL_KERNEL_atom_H
# include <BALL/KERNEL/atom.h>
#endif

#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif

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

#ifndef BALL_DATATYPE_STRINGHASHMAP_H
# include <BALL/DATATYPE/stringHashMap.h>
#endif

namespace BALL 
{
  class BALL_EXPORT ClearChargeProcessor
    : public UnaryProcessor<Atom> 
  {
    public:

    virtual Processor::Result operator()(Atom& atom);
  };


  class BALL_EXPORT ClearRadiusProcessor
    : public UnaryProcessor<Atom>
  {
    public:

    virtual Processor::Result operator()(Atom& atom);
  };


  class BALL_EXPORT AssignRadiusProcessor
    : public UnaryProcessor<Atom> 
  {
    public:

    AssignRadiusProcessor();

    AssignRadiusProcessor(const String& filename)
      throw(Exception::FileNotFound);

    virtual bool start();

    virtual bool finish();

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

    void setFilename(const String& filename)
      throw(Exception::FileNotFound);

    String& getFilename();
    
    Size  getNumberOfAssignments();

    Size  getNumberOfErrors();


    protected:

    //_ Extract the data from the file.
    bool buildTable_()
      throw(Exception::FileNotFound);

    String                  filename_;
    StringHashMap<float>    table_;
    Size                    number_of_errors_;
    Size                    number_of_assignments_;
  };


  class BALL_EXPORT AssignChargeProcessor
    : public AssignRadiusProcessor 
  {
    public:

    AssignChargeProcessor();

    AssignChargeProcessor(const String& filename)
      throw(Exception::FileNotFound);
    
    virtual bool start();

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

    float getTotalCharge();


    protected:
    
    float   total_charge_;
  };

  
} // namespace BALL

#endif // BALL_STRUCTURE_DEFAULTPROCESSORS_H

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