Molecule.h

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#ifndef MOLECULE_H
#define MOLECULE_H

#include <vector>
#include <QVector4D>
#include <string>
#include <qmath.h>

#include <QOpenGLBuffer>
#include <QOpenGLVertexArrayObject>
#include <QOpenGLShaderProgram>
#include <map>
#include <vector>

#include "SceneObject.h"
#include "Params.h"

enum DRAW_TYPE {
    COLOR = 0, EDGES = 1, HALOS = 2, SHADOW_MAP = 3, OCCLUSION_MAP = 4
};

struct Atom {

    QVector3D color;

    QVector3D chainColor;

    float covalentRadius;

    float vanDerWaalsRadius;

    QVector3D position;

    std::string name;

    float distanceCameraTranslate;
};

class Molecule : public SceneObject
{

public:

    Molecule(QMatrix4x4 _modelMatrix);
    ~Molecule();

    void initGL(QOpenGLShaderProgram *mainShader, QOpenGLShaderProgram*shadowMapShader,QOpenGLShaderProgram* ambientOcclusionMapShader, QOpenGLShaderProgram * edgeShader, QOpenGLShaderProgram *haloShader);

    void draw(DRAW_TYPE type);

    QVector3D findColor(std::string atomName);

    float findRadius(std::string atomName, RadiusEnum radiusType);

    QVector3D findChainColor(int chainID);

    QVector3D findMoleculeCenter();

    void centerMolecule(QVector3D center);

    float getBoundingSphereRadius();

    std::vector<Atom> *atoms;

    QVector3D findCameraTranslation();

private:
    std::map<std::string, QVector3D> *atomColorMap;

    std::vector<QVector3D> *chainColorMap;

    std::map<std::string, float> *covalentRadiusMap;

    std::map<std::string, float> *vanDerWaalsRadiusMap;

    QOpenGLVertexArrayObject vao;

    QOpenGLVertexArrayObject haloVAO;

    QOpenGLVertexArrayObject edgeVAO;

    QOpenGLVertexArrayObject shadowMapVAO;

    QOpenGLVertexArrayObject occlusionMapVAO;

    QOpenGLBuffer vertexBuffer;

    QOpenGLBuffer atomColorBuffer;

    QOpenGLBuffer chainColorBuffer;

    QOpenGLBuffer vanDerWaalsRadiusBuffer;

    QOpenGLBuffer covalentRadiusBuffer;

    QOpenGLBuffer quadBuffer;

    // Initialization of color and radius maps
    void initAtomColorMap();

    void initChainColorMap();

    void initCovalentRadiusMap();

    void initVanDerWaalsRadiusMap();

    float boundingSphereRadius;
};

#endif // MOLECULE_H