Atom.h

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#ifndef ATOM_H
#define ATOM_H
 
#include <string>
 
#include "Structure.h"
#include "AtomProperties.h"
#include "RenderingMode.h"
 
//pmlschema forward declarations
namespace physicalModel {
class Atom;
}
 
class Atom : public Structure {
public:
    Atom(PhysicalModel* myPM);
 
    Atom(PhysicalModel* myPM,  physicalModel::Atom atom, unsigned int id = -1);
 
    Atom(PhysicalModel* myPM, const double pos[3]);
 
    Atom(PhysicalModel* myPM, const unsigned int ind);
 
    Atom(PhysicalModel* myPM, const unsigned int ind, const double pos[3]);
 
    ~Atom() override;
 
    void xmlPrint(std::ostream&, const StructuralComponent*) override;
 
    void getPosition(double pos[3]) const;
 
    void setPosition(const double [3]);
 
    void setPosition(const double, const double, const double);
 
    bool setIndex(const unsigned int) override;
 
    unsigned int getIndexInAtoms() const;
 
    bool isInstanceOf(const char*) const override;
 
    AtomProperties* getProperties() const;
 
private:
    unsigned int indexInAtoms;
};
 
// -------------------- inline ---------------------
inline void Atom::getPosition(double p[3]) const {
    return getProperties()->getPosition(p);
}
 
inline void Atom::setPosition(const double pos[3])  {
    getProperties()->setPosition(pos);
}
inline void Atom::setPosition(const double x, const double y, const double z)  {
    getProperties()->setPosition(x, y, z);
}
 
inline bool Atom::isInstanceOf(const char* className) const {
    return (std::string(className) == std::string("Atom"));
}
inline AtomProperties* Atom::getProperties() const {
    return (AtomProperties*) properties;
}
 
#endif //ATOM_H