ccchequation.h

/***************************************************************************
                          hcchequation.h  -  description
                             -------------------
    author               : Armando Navarro-Vazquez
    email                : armando.deus@gmail.com
 ***************************************************************************/

/***************************************************************************
 *                                                                         *
 *   This program is free software; you can redistribute it and/or modify  *
 *   it under the terms of the GNU General Public License as published by  *
 *   the Free Software Foundation; either version 2 of the License, or     *
 *   (at your option) any later version.                                   *
 *                                                                         *
 ***************************************************************************/

#ifndef CCCHEQUATION_H
#define CCCHEQUATION_H

#include "jequation.h"

#ifdef WIN32
#include <windows.h>
#define JEQUATION_EXPORT  __declspec(dllexport)
#ifdef JEQUATIONDLL
#define JEQUATION_API __declspec(dllexport)
#else
#define JEQUATION_API __declspec(dllimport)
#endif
#else
#define JEQUATION_API
#define JEQUATION_EXPORT
#endif

namespace magnes
{
class JEQUATION_API CCCHEquation : public JEquation
{
public:
    CCCHEquation();
    ~CCCHEquation();
protected:
  virtual bool SelectFirstAtom(const magnes::Molecule* molecule, size_t i);
  virtual bool SelectSecondAtom(const magnes::Molecule* molecule, size_t i);
  virtual int NBonds() const;
  virtual std::pair < std::string , std::string > CoupledNuclei() const;
private:
  bool IsCSP3H(const magnes::Molecule* molecule, size_t i);
  bool IsValidCarbon(const magnes::Molecule* molecule, size_t i);

};
}
#endif