partialChargeDescriptors.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// 
// not checked in

#ifndef BALL_QSAR_PARTIALCHARGEDESCRIPTORS_H
#define BALL_QSAR_PARTIALCHARGEDESCRIPTORS_H

#ifndef BALL_QSAR_PARTIALCHARGEBASE_H
# include <BALL/QSAR/partialChargeBase.h>
#endif

namespace BALL
{
  // 4 partial charge descriptors
  
  class BALL_EXPORT TotalPositivePartialCharge
    : public PartialChargeBase
  {
    public:

    BALL_CREATE(TotalPositivePartialCharge)
    
    
    TotalPositivePartialCharge();

    TotalPositivePartialCharge(const TotalPositivePartialCharge& tppc);

    virtual ~TotalPositivePartialCharge();

    TotalPositivePartialCharge& operator = (const TotalPositivePartialCharge& tppc);
  };

  class BALL_EXPORT TotalNegativePartialCharge
    : public PartialChargeBase
  {
    public:

    BALL_CREATE(TotalNegativePartialCharge)
    
    
    TotalNegativePartialCharge();

    TotalNegativePartialCharge(const TotalNegativePartialCharge& tnpc);

    virtual ~TotalNegativePartialCharge();
    
    TotalNegativePartialCharge& operator = (const TotalNegativePartialCharge& tnpc);
  };

  class BALL_EXPORT RelPositivePartialCharge
    : public PartialChargeBase
  {
    public:

    BALL_CREATE(RelPositivePartialCharge)

    
    RelPositivePartialCharge();

    RelPositivePartialCharge(const RelPositivePartialCharge& rppc);

    virtual ~RelPositivePartialCharge();

    RelPositivePartialCharge& operator = (const RelPositivePartialCharge& rppc);
  };

  class BALL_EXPORT RelNegativePartialCharge
    : public PartialChargeBase
  {
    public:

    BALL_CREATE(RelNegativePartialCharge)

    
    RelNegativePartialCharge();

    RelNegativePartialCharge(const RelNegativePartialCharge& rppc);

    virtual ~RelNegativePartialCharge();

    RelNegativePartialCharge& operator = (const RelNegativePartialCharge& rnpc);
  };

} // namespace BALL

#endif // BALL_QSAR_PARTIALCHARGEDESCRIPTORS_H

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