gcr/line.h

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// -*- C++ -*-

/*
 * Gnome Chemistry Utils
 * gcr/line.h
 *
 * Copyright (C) 2002-2012 Jean Bréfort <jean.brefort@normalesup.org>
 *
 * 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 3 of the
 * License, or (at your option) any later version.
 *
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
 * USA
 */

#ifndef GCR_LINE_H
#define GCR_LINE_H

#include <gtk/gtk.h>
#include <libxml/parser.h>
#include <list>

namespace gcr {

enum LineType
{
        edges = 0,
        diagonals,
        medians,
        normal,
        unique
};

class Line
{
public:
        Line ();
        virtual ~Line ();

public :
        Line (LineType Type, double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha);
        Line (Line& clLine);
        Line& operator= (Line& clLine);

        double &X1 (void) {return m_dx;}
        double &Y1 (void) {return m_dy;}
        double &Z1 (void) {return m_dz;}
        double &X2 (void) {return m_dx2;}
        double &Y2 (void) {return m_dy2;}
        double &Z2 (void) {return m_dz2;}
        double Xmax ();
        double Ymax ();
        double Zmax ();
        double Xmin ();
        double Ymin ();
        double Zmin ();
        double Long () {return m_dl;}
        LineType &Type () {return m_nType;}
        void SetPosition (double x, double y, double z, double x1, double y1, double z1);
        void SetColor (float red, float green, float blue, float alpha);
        void SetColor (GdkRGBA rgba);
        void GetColor (double *red, double *green, double *blue, double *alpha);
        void GetColor (GdkRGBA &rgba);
        void SetRadius (double r);
        double GetRadius () {return m_dr;};
        bool operator== (Line& clLine);
        virtual void Move (double x, double y, double z);
        double ScalProd (int h, int k, int l);
        void Cleave () {m_nCleave++;}
        void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma);
        double Distance (double x, double y, double z, bool bFixed);
        bool IsCleaved () {return m_nCleave != 0;}
        void GetRotation (double& x, double& y, double& z, double& th);
        virtual xmlNodePtr Save (xmlDocPtr xml) const;
        virtual bool Load (xmlNodePtr node);

protected :
        float m_fBlue;
        float m_fRed;
        float m_fGreen;
        float m_fAlpha;
        double m_dx;
        double m_dy;
        double m_dz;
        double m_dx2;
        double m_dy2;
        double m_dz2;
        double m_dr;
        int m_nCleave; //0 if not cleaved
        LineType m_nType;

private:
        double m_dl;
        double m_dxrot;
        double m_dyrot;
        double m_darot;//rotation axis coordinates (z = 0) and angle
};

typedef std::list<Line*> LineList;

extern char const *LineTypeName[];

}       //      namespace gcr

#endif // GCR_BOND_H