AtomicElement.inl

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/*

Copyright (c) 2014, Dr Franck P. Vidal (franck.p.vidal@fpvidal.net),
http://www.fpvidal.net/
All rights reserved.

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are permitted provided that the following conditions are met:

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this list of conditions and the following disclaimer.

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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.

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*/


//******************************************************************************
//  Include
//******************************************************************************
#include <cmath>
#include <xraylib.h>

#ifndef __OutOfBoundsException_h
#include "gVirtualXRay/OutOfBoundsException.h"
#endif

#ifndef __Units_h
#include "gVirtualXRay/Units.h"
#endif


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


//-------------------------------------------------------------
inline AtomicElement::AtomicElement(const std::string& aName,
                                    const std::string& aSymbol,
                                    unsigned short aZNumber,
                                    double aMolarMass,
                                    double aDensity,
                                    const std::string& aState):
//-------------------------------------------------------------
        m_name(aName),
        m_symbol(aSymbol),
        m_atomic_number(aZNumber),
        m_molar_mass(aMolarMass),
        m_density(aDensity),
        m_state(aState)
//-------------------------------------------------------------
{
}


//------------------------------------------------------------------
inline AtomicElement::AtomicElement(const AtomicElement& anElement):
//------------------------------------------------------------------
        m_name(anElement.m_name),
        m_symbol(anElement.m_symbol),
        m_atomic_number(anElement.m_atomic_number),
        m_molar_mass(anElement.m_molar_mass),
        m_density(anElement.m_density),
        m_state(anElement.m_state),
        m_p_energy_set(anElement.m_p_energy_set),
        m_p_mass_attenuation_coefficient_set(anElement.m_p_mass_attenuation_coefficient_set)//,
        // m_p_coherent_scattering_set(anElement.m_p_coherent_scattering_set),
        // m_p_incoherent_scattering_set(anElement.m_p_incoherent_scattering_set),
        // m_p_photo_electric_absorption_set(anElement.m_p_photo_electric_absorption_set),
        // m_p_pair_production_in_nuclear_field_set(anElement.m_p_pair_production_in_nuclear_field_set),
        // m_p_pair_production_in_electron_field_set(anElement.m_p_pair_production_in_electron_field_set),
        // m_p_total_attenuation_without_coherent_scattering(anElement.m_p_total_attenuation_without_coherent_scattering)
//------------------------------------------------------------------
{
}


//------------------------------------
inline AtomicElement::~AtomicElement()
//------------------------------------
{
}


//----------------------------------------------------------
inline void AtomicElement::setName(const std::string& aName)
//----------------------------------------------------------
{
    m_name = aName;
}


//--------------------------------------------------------------
inline void AtomicElement::setSymbol(const std::string& aSymbol)
//--------------------------------------------------------------
{
    m_symbol = aSymbol;
}


//-----------------------------------------------------------------
inline void AtomicElement::setAtomicNumber(unsigned short aZNumber)
//-----------------------------------------------------------------
{
    m_atomic_number = aZNumber;
}


//--------------------------------------------------------
inline void AtomicElement::setMolarMass(double aMolarMass)
//--------------------------------------------------------
{
    m_molar_mass = aMolarMass;
}


//----------------------------------------------------
inline void AtomicElement::setDensity(double aDensity)
//----------------------------------------------------
{
    m_density = aDensity;
}


//------------------------------------------------------------
inline void AtomicElement::setState(const std::string& aState)
//------------------------------------------------------------
{
    m_state = aState;
}


//-------------------------------------------------
inline double AtomicElement::getMU(double anEnergy)
//-------------------------------------------------
{
    return (getMassAttenuationTotal(anEnergy) * m_density);
}


//-------------------------------------------------------------------
inline double AtomicElement::getMassAttenuationTotal(double anEnergy)
//-------------------------------------------------------------------
{
    return CS_Total(m_atomic_number, anEnergy / keV, 0) * (cm2 / g);
}


//------------------------------------------------------
inline const std::string& AtomicElement::getName() const
//------------------------------------------------------
{
    return (m_name);
}


//--------------------------------------------------------
inline const std::string& AtomicElement::getSymbol() const
//--------------------------------------------------------
{
    return (m_symbol);
}


//----------------------------------------------------------
inline unsigned short AtomicElement::getAtomicNumber() const
//----------------------------------------------------------
{
    return (m_atomic_number);
}


//-----------------------------------------------
inline unsigned short AtomicElement::getZ() const
//-----------------------------------------------
{
    return (m_atomic_number);
}


//--------------------------------------------
inline unsigned short AtomicElement::Z() const
//--------------------------------------------
{
    return (m_atomic_number);
}


//-----------------------------------------------
inline double AtomicElement::getMolarMass() const
//-----------------------------------------------
{
    return (m_molar_mass);
}


//---------------------------------------------
inline double AtomicElement::getDensity() const
//---------------------------------------------
{
    return (m_density);
}


//-------------------------------------------------------
inline const std::string& AtomicElement::getState() const
//-------------------------------------------------------
{
    return (m_state);
}


//---------------------------------------------------------------
inline unsigned int AtomicElement::getEnergyChannelNumber() const
//---------------------------------------------------------------
{
    return (m_p_energy_set.size());
}


//----------------------------------------------------------------------------
inline AtomicElement& AtomicElement::operator=(const AtomicElement& anElement)
//----------------------------------------------------------------------------
{
    m_name          = anElement.m_name;
    m_symbol        = anElement.m_symbol;
    m_atomic_number = anElement.m_atomic_number;
    m_molar_mass    = anElement.m_molar_mass;
    m_density       = anElement.m_density;
    m_state         = anElement.m_state;

    m_p_energy_set                                    = anElement.m_p_energy_set;
    m_p_mass_attenuation_coefficient_set              = anElement.m_p_mass_attenuation_coefficient_set;
    // m_p_coherent_scattering_set                       = anElement.m_p_coherent_scattering_set;
    // m_p_incoherent_scattering_set                     = anElement.m_p_incoherent_scattering_set;
    // m_p_photo_electric_absorption_set                 = anElement.m_p_photo_electric_absorption_set;
    // m_p_pair_production_in_nuclear_field_set          = anElement.m_p_pair_production_in_nuclear_field_set;
    // m_p_pair_production_in_electron_field_set         = anElement.m_p_pair_production_in_electron_field_set;
    // m_p_total_attenuation_without_coherent_scattering = anElement.m_p_total_attenuation_without_coherent_scattering;

    return (*this);
}


    inline double AtomicElement::getEnergyChannel(unsigned int i) const
    {
        if (i >= m_p_energy_set.size())
        {
            throw OutOfBoundsException(__FILE__, __FUNCTION__, __LINE__);
        }

        return m_p_energy_set[i];
    }


    inline double AtomicElement::getMassAttenuationCoefficientChannel(unsigned int i) const
    {
        if (i >= m_p_mass_attenuation_coefficient_set.size())
        {
            throw OutOfBoundsException(__FILE__, __FUNCTION__, __LINE__);
        }


        return m_p_mass_attenuation_coefficient_set[i];
    }


} // namespace gVirtualXRay