glsimplemoleculeview.h

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/***************************************************************************
                    glsimplemoleculeview.h  -  description
                             -------------------
    begin                : Fri Nov 5 2004
    copyright            : (C) 2004-2006 by Ben Swerts
    email                : bswerts@users.sourceforge.net
 ***************************************************************************/

/***************************************************************************
 *                                                                         *
 *   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 GLSIMPLEMOLECULEVIEW_H
#define GLSIMPLEMOLECULEVIEW_H


// STL includes
#include <vector>

// Qt forward class declarations
class QDomElement;
#include <qfont.h>

// Xbrabo forward class declarations
class AtomSet;

// Xbrabo header files
#include "glmoleculeparameters.h"
#include "glview.h"

class GLSimpleMoleculeView : public GLView
{
  Q_OBJECT
  
  public: 
    GLSimpleMoleculeView(AtomSet* atomset, QWidget* parent=0, const char* name=0);      // constructor
    ~GLSimpleMoleculeView();            // destructor

    enum DisplayStyle{None, Lines, Tubes, BallAndStick, VanDerWaals};   

    enum DisplaySource{Molecule, Forces};         

    unsigned int displayStyle(const DisplaySource source) const;      // Returns the display style of a certain primitive
    bool isShowingElements() const;     // returns whether the atom elements are shown
    bool isShowingNumbers() const;      // returns whether the atom numbers are shown
    bool isShowingCharges(const unsigned int type) const;   // returns whether charges of a certain type are showing
    unsigned int selectedAtoms() const; // returns the number of atoms selected
    void loadCML(QDomElement* root);    // loads the setup of the view
    void saveCML(QDomElement* root);    // saves the setup of the view
    void setDisplayStyle(const DisplaySource source, const unsigned int style); // sets the display style for a certain primitive
    void setLabels(const bool element, const bool number, const unsigned int type);       // sets up showing of the labels

    static void setParameters(GLMoleculeParameters params); // sets new OpenGL parameters

  public slots:
    void updateAtomSet(const bool reset = false); // updates the view when the atomset has changed
    void selectAll(const bool update = true);     // select all atoms
    void unselectAll(const bool update = true);   // unselect all atoms

  protected slots:
    void reorderShapes();               // orders the shapes based on opacity

  protected:
    enum SelectionType{SELECTION_NONE, SELECTION_ATOM, SELECTION_BOND, SELECTION_ANGLE, SELECTION_TORSION, SELECTION_GROUP,
                       SELECTION_BONDS, SELECTION_FORCES}; 

    enum ShapeTypes{SHAPE_ATOMS, SHAPE_BONDS, SHAPE_FORCES, SHAPE_LABELS, SHAPE_IC, SHAPE_SELECTION, SHAPE_NEXT};     

    virtual void keyPressEvent(QKeyEvent* e);     // handles key presses
    virtual void initializeGL();        // called once upon initialization
    virtual void drawItem(const unsigned int);    // draws the item shapes[i]
    virtual void updateGLSettings();    // updates the GL View according to parameters
    virtual float boundingSphereRadius();         // calculates the radius of the bounding sphere
    void clicked(const QPoint& position);         // handles click events
    virtual void updateShapes();        // updates the shapes vector

    struct ShapeProperties             
    {
      unsigned int id;                  
      unsigned int opacity;             
      unsigned int type;                
      bool operator<(ShapeProperties prop) const
      {
        return opacity > prop.opacity;
      }
    };  

    GLfloat centerX;                    
    GLfloat centerY;                    
    GLfloat centerZ;                    
    unsigned int selectionType;         
    std::list<unsigned int> selectionList;        
    std::vector<ShapeProperties> shapes;

    static GLMoleculeParameters moleculeParameters;         

  private:
    enum Directions{DIRECTION_X, DIRECTION_Y, DIRECTION_Z}; 
    enum StartIndices{START_ATOMS = 100, START_BONDS = 1, START_FORCES = 2, START_SELECTEDATOMS = 3, START_SELECTEDBONDS = 4}; 
 
    GLuint makeObjects(const int numSlices);      // generates the atom and bond shapes
    void changeObjects(const GLuint startList, const int numSlices);  // changes the atom and bond shapes
    void selectEntity(const QPoint position);     // selects the entity at the position
    void processSelection(const unsigned int id); // updates the selection according to the change in selection of the ID
    void centerMolecule();              // calculates the translations needed to have the molecule centered
    void drawScene();                   // does the actual repainting of the OpenGL scene
    void drawAtoms();                   // draws the atoms in the OpenGL scene
    void drawBonds();                   // draws the bonds
    void drawLabels();                  // draws the element names&numbers and possibly charges
    void drawForces();                  // draws the forces
    void drawICValue();                 // draws the value of the currently selected internal coordinate
    void drawSelections();              // draws the selected atoms and internal coordinates

    int atomObject;                     
    int bondObject;                     
    int forceObjectLines;               
    int forceObjectTubes;               
    unsigned int moleculeStyle;         
    unsigned int forcesStyle;           
    bool showElements;                  
    bool showNumbers;                   
    unsigned int chargeType;            
    AtomSet* atoms;                     
    GLfloat selectionLineWidth;         
    GLfloat selectionPointSize;         
    float scaleFactor;                  
    QFont labelFont;                    

    // private constants (made static for ease) 
    static const float cylinderHeight;  

};

#endif

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