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kalziumgradienttype.h

/***************************************************************************
 *   Copyright (C) 2005, 2006      by Pino Toscano, toscano.pino@tiscali.it      *
 *                                                                         *
 *   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.                                   *
 *                                                                         *
 *   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 Street, Fifth Floor, Boston, MA  02110-1301, USA.         *
 ***************************************************************************/

#ifndef KALZIUMGRADIENTTYPE_H
#define KALZIUMGRADIENTTYPE_H

class KalziumGradientType;

#include <QByteArray>
#include <QColor>

/**
 * Factory for KalziumGradientType classes.
 *
 * @author Pino Toscano
 */
00033 class KalziumGradientTypeFactory
{
public:

    enum KalziumGradientTypes
    {
        SOMGradientType = 0,
        CovalentRadiusGradientType,
        VanDerWaalsRadiusGradientType,
        MassGradientType,
        BoilingPointGradientType,
        MeltingPointGradientType,
        ElectronaffinityGradientType,
        DiscoverydateGradientType,
        IonizationGradientType
    };

    /**
     * Get the instance of this factory.
     */
    static KalziumGradientTypeFactory* instance();

    /**
     * Returns the KalziumGradientType with the @p id specified.
     * It will gives 0 if none found.
     */
    KalziumGradientType* build( int id ) const;
    /**
     * Returns the KalziumGradientType whose name is the @p id
     * specified.
     * It will gives 0 if none found.
     */
    KalziumGradientType* build( const QByteArray& id ) const;

    /**
     * Returns a list with the names of the gradients we support.
     */
    QStringList gradients() const;


    void setCurrentGradient(int newGradient);

private:
    KalziumGradientTypeFactory();

    QList<KalziumGradientType*> m_gradients;
};

/**
 * Base class representing a gradient.
 * Inherit it and add its instance to the factory to add it globally.
 *
 * @author Pino Toscano
 */
00087 class KalziumGradientType
{
public:
    /**
     * Get its instance.
     */
    static KalziumGradientType* instance();

    virtual ~KalziumGradientType();

    /**
     * Returns the ID of this gradient.
     * Mainly used when saving/loading.
     */
    virtual QByteArray name() const = 0;
    /**
     * Returns the description of this gradient.
     * Used in all the visible places.
     */
    virtual QString description() const = 0;

    /**
     * Calculate the coefficient of the element with atomic number
     * @p el according to this gradient. The calculated coefficient
     * will be always in the range [0, 1].
     */
    virtual double elementCoeff( int el ) const;
    /**
     * Return the value, related to the current gradient, of the
     * element with atomic number @p el.
     * It will return -1 if the data is not available.
     */
    virtual double value( int el ) const = 0;
    /**
     * Gives back the unit of the current value.
     */
    virtual QString unit() const = 0; // TODO How can i get the unit from?
    /**
     * Returns the minimum value of the data this gradient
     * represents.
     */
    virtual double minValue() const = 0;
    /**
     * Returns the maximum value of the data this gradient
     * represents.
     */
    virtual double maxValue() const = 0;
    /**
     * Returns the numbers of decimal in which the gradient values
     * look the best
     */
    virtual int decimals() const = 0;
    /**
     * Returns whether to use a logarithmic gradient
     * instead of a linear one.
     */
    virtual bool logarithmicGradient() const = 0;
    /**
     * Returns the first color of the gradient.
     */
    virtual QColor firstColor() const;
    /**
     * Returns the second color of the gradient.
     */
    virtual QColor secondColor() const;
    /**
     * Returns the color used to represent an element whose data is
     * not available.
     */
    virtual QColor notAvailableColor() const;

    /**
     * Calculates the color of an element which has a @p coeff which
     * is a percentage of the maximum value.
     * @param coeff is the coefficient in the range [0, 1], usually
     * calculated with elementCoeff()
     */
    QColor calculateColor( const double coeff ) const;

protected:
    KalziumGradientType();
};

/**
 * The gradient by covalent radius.
 *
 * @author Pino Toscano
 */
00175 class KalziumCovalentRadiusGradientType : public KalziumGradientType
{
public:
    static KalziumCovalentRadiusGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumCovalentRadiusGradientType();
};

/**
 * The gradient by van Der Waals radius.
 *
 * @author Pino Toscano
 */
00201 class KalziumVanDerWaalsRadiusGradientType : public KalziumGradientType
{
public:
    static KalziumVanDerWaalsRadiusGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumVanDerWaalsRadiusGradientType();
};

/**
 * The gradient by atomic mass.
 *
 * @author Pino Toscano
 */
00227 class KalziumMassGradientType : public KalziumGradientType
{
public:
    static KalziumMassGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumMassGradientType();
};

/**
 * The gradient by boiling point.
 *
 * @author Pino Toscano
 */
00253 class KalziumBoilingPointGradientType : public KalziumGradientType
{
public:
    static KalziumBoilingPointGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumBoilingPointGradientType();
};

/**
 * The gradient by melting point.
 *
 * @author Pino Toscano
 */
00279 class KalziumMeltingPointGradientType : public KalziumGradientType
{
public:
    static KalziumMeltingPointGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumMeltingPointGradientType();
};


/**
 * The gradient for SOM Widget
 *
 * @author Etienne Rebetez
 */
00306 class KalziumSOMGradientType : public KalziumGradientType
{
public:
    static KalziumSOMGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumSOMGradientType();
};

/**
 * The gradient by electronegativity.
 *
 * @author Pino Toscano
 */
00332 class KalziumElectronegativityGradientType : public KalziumGradientType
{
public:
    static KalziumElectronegativityGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumElectronegativityGradientType();
};

/**
 * The gradient by discoverydate.
 *
 * @author Carsten Niehaus
 */
00358 class KalziumDiscoverydateGradientType : public KalziumGradientType
{
public:
    static KalziumDiscoverydateGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumDiscoverydateGradientType();
};

/**
 * The gradient by electronaffinity.
 *
 * @author Carsten Niehaus
 */
00384 class KalziumElectronaffinityGradientType : public KalziumGradientType
{
public:
    static KalziumElectronaffinityGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumElectronaffinityGradientType();
};

/**
 * The gradient by the first ionization energy.
 *
 * @author Carsten Niehaus
 */
00410 class KalziumIonizationGradientType : public KalziumGradientType
{
public:
    static KalziumIonizationGradientType* instance();

    QByteArray name() const;
    QString description() const;

    double value( int el ) const;
    QString unit() const;

    double minValue() const;
    double maxValue() const;
    int decimals() const;

    bool logarithmicGradient() const;

private:
    KalziumIonizationGradientType();
};

#endif // KALZIUMGRADIENTTYPE_H

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