AtomicElement.h

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/*

Copyright (c) 2017, Dr Franck P. Vidal (franck.p.vidal@fpvidal.net),
http://www.fpvidal.net/
All rights reserved.

Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:

1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.

2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation and/or
other materials provided with the distribution.

3. Neither the name of the Bangor University nor the names of its contributors
may be used to endorse or promote products derived from this software without
specific prior written permission.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO,
THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF
THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

*/


#ifndef __AtomicElement_h
#define __AtomicElement_h


//******************************************************************************
//  Include
//******************************************************************************
#ifndef __gVirtualXRayConfig_h
#include "gVirtualXRay/gVirtualXRayConfig.h"
#endif

#include <iostream>
#include <vector>
#include <string>


//******************************************************************************
//  defines
//******************************************************************************


//******************************************************************************
//  namespace
//******************************************************************************
namespace gVirtualXRay {


//******************************************************************************
//  Class declaration
//******************************************************************************
class AtomicElement;


//******************************************************************************
//  Function declarations
//******************************************************************************

//------------------------------------------------------------------------------
/*
*   @param anOutputSream:   the stream in which an element is going
*                           to be printed
*   @param anElement:       the element to send into the stream
*   @return the output stream
*/
//------------------------------------------------------------------------------
std::ostream& operator<<(std::ostream& anOutputSream,
        const gVirtualXRay::AtomicElement& anElement);


//------------------------------------------------------------------------------
/*
*   @param anInputSream:    the stream from which an element is going to be read
*   @param anElement:       the element to read from the stream
*   @return the input stream
*/
//------------------------------------------------------------------------------
std::istream& operator>>(std::istream& anInputSream,
        gVirtualXRay::AtomicElement& anElement);


//==============================================================================
//==============================================================================
class AtomicElement
//------------------------------------------------------------------------------
{
//******************************************************************************
public:
    //--------------------------------------------------------------------------
    /*
     *  @param aName:       the name of the element
     *  @param aSymbol:     the symbol of the element
     *  @param aZNumber:    the atomic number (Z) of the element
     *  @param aMolarMass:  the molar mass of the element (in g/mol))
     *  @param aDensity:    the density of the element (in g/cm3)
     *  @param aState:      the state of the element
     *  @param aVoxelSize:  the size of a voxel
     */
    //--------------------------------------------------------------------------
    AtomicElement(const std::string& aName = "",
            const std::string& aSymbol = "",
            unsigned short aZNumber = 0,
            double aMolarMass = 0,
            double aDensity = 0,
            const std::string& aState = "");


    //--------------------------------------------------------------------------
    /*
    *   @param anElement:   the element to copy
    */
    //--------------------------------------------------------------------------
    AtomicElement(const AtomicElement& anElement);


    //--------------------------------------------------------------------------
    //--------------------------------------------------------------------------
    ~AtomicElement();


    //--------------------------------------------------------------------------
    /*
    *   @param aName:   the name of the element
    */
    //--------------------------------------------------------------------------
    void setName(const std::string& aName);


    //--------------------------------------------------------------------------
    /*
    *   @param aSymbol: the symbol of the element
    */
    //--------------------------------------------------------------------------
    void setSymbol(const std::string& aSymbol);


    //--------------------------------------------------------------------------
    /*
    *   @param aZNumber:    the atomic number (Z) of the element
    */
    //--------------------------------------------------------------------------
    void setAtomicNumber(unsigned short aZNumber);


    //--------------------------------------------------------------------------
    /*
    *   @param aMolarMass:  the molar mass of the element
    */
    //--------------------------------------------------------------------------
    void setMolarMass(double aMolarMass);


    //--------------------------------------------------------------------------
    /*
    *   @param aDensity:    the density of the element
    */
    //--------------------------------------------------------------------------
    void setDensity(double aDensity);


    //--------------------------------------------------------------------------
    /*
    *   @param aState:  the state of the element
    */
    //--------------------------------------------------------------------------
    void setState(const std::string& aState);


    //--------------------------------------------------------------------------
    /*
    *   @param anEnergy:    the energy
    *   @return the corresponding linear attenuation coefficient
    */
    //--------------------------------------------------------------------------
    double getMassAttenuationTotal(double anEnergy);


    //--------------------------------------------------------------------------
    /*
    *   @param anEnergy:    the energy
    *   @return the corresponding linear attenuation coefficient
    */
    //--------------------------------------------------------------------------
    double getMU(double anEnergy);


    //--------------------------------------------------------------------------
    /*
    *   @return the name of the element
    */
    //--------------------------------------------------------------------------
    const std::string& getName() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the symbol of the element
    */
    //--------------------------------------------------------------------------
    const std::string& getSymbol() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the atomic number (Z) of the element
    */
    //--------------------------------------------------------------------------
    unsigned short getAtomicNumber() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the atomic number (Z) of the element
    */
    //--------------------------------------------------------------------------
    unsigned short getZ() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the atomic number (Z) of the element
    */
    //--------------------------------------------------------------------------
    unsigned short Z() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the molar mass of the element
    */
    //--------------------------------------------------------------------------
    double getMolarMass() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the density of the element
    */
    //--------------------------------------------------------------------------
    double getDensity() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the state of the element
    */
    //--------------------------------------------------------------------------
    const std::string& getState() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the number of energy channels
    */
    //--------------------------------------------------------------------------
    unsigned int getEnergyChannelNumber() const;


    //--------------------------------------------------------------------------
    /*
    *   @return the smallest energy step
    */
    //--------------------------------------------------------------------------
    double getSmallestEnergyStep() const;


    //--------------------------------------------------------------------------
    /*
    *   @param anElement:   the element to copy
    */
    //--------------------------------------------------------------------------
    AtomicElement& operator=(const AtomicElement& anElement);


    double getEnergyChannel(unsigned int i) const;
    double getMassAttenuationCoefficientChannel(unsigned int i) const;
    void printSummary() const;


//*****************************************************************************
protected:

    std::string    m_name;                  
    std::string    m_symbol;                
    unsigned short m_atomic_number;         
    double         m_molar_mass;            
    double         m_density;               
    std::string    m_state;                 

    std::vector<double> m_p_energy_set;

    std::vector<double> m_p_mass_attenuation_coefficient_set;

    // std::vector<double> m_p_coherent_scattering_set;
    // std::vector<double> m_p_incoherent_scattering_set;
    // std::vector<double> m_p_photo_electric_absorption_set;
    // std::vector<double> m_p_pair_production_in_nuclear_field_set;
    // std::vector<double> m_p_pair_production_in_electron_field_set;
    // std::vector<double> m_p_total_attenuation_without_coherent_scattering;
};


} // namespace gVirtualXRay


//******************************************************************************
#include "AtomicElement.inl"


#endif // __AtomicElement_h