Material.hxx

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/*
  This file is part of MURE,
  Copyright (C) 2007-2021 MURE developers.
 
  MURE is free software: you can redistribute it and/or modify
  it under the terms of the GNU Lesser General Public License as published by
  the Free Software Foundation, either version 3 of the License, or
  (at your option) any later version.
 
  MURE 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 Lesser General Public License for more details.
 
  You should have received a copy of the GNU Lesser General Public License
  along with MURE.  If not, see <http://www.gnu.org/licenses/>.
*/
 
#ifndef _MATERIAL_
#define _MATERIAL_
#include <cmath>
#include <vector>
#include <map>
#include <string>
#include <algorithm>
#include <iosfwd>
 
#include "Reaction.hxx"
#include "Nucleus.hxx"
#include "NucleiTree.hxx"
#include "ZAI.hxx"
 
class Cell;
 
using namespace std;
 
 
 
enum ProportionUnitType { kpUNDEFINED = - 1, kpMOL = 1, kpMASS, kpATCM3, kpATBCM};
 
enum DensityUnitType { kdUNDEFINED = - 1, kdGCM3 = 1, kdATCM3, kdATBCM};
 
//________________________________________________________________________
//
//        Material
 
//________________________________________________________________________
 
class Material
{
  public:
 
    Material();
 
 
    Material(int theNumber);
    Material(const Material &m);    
    virtual ~Material();            
 
 
    virtual Material *Copy();
 
    virtual Material *Clone(double Temperature = - 1);
 
 
    void    AddNucleus(int Z, int A, double Proportion = 1., ProportionUnitType ProportionUnit = kpMOL, string ModeratorCategory = "");
 
    void    AddNucleus(int Z, int A, int I, double Proportion, ProportionUnitType ProportionUnit = kpMOL, string ModeratorCategory = "");
 
    void    AddNucleus(ZAI *zai, double Proportion = 1., ProportionUnitType ProportionUnit = kpMOL, string ModeratorCategory = "");
 
    void    AddNucleus(Nucleus_ptr nucleus, double Proportion = 1., ProportionUnitType ProportionUnit = kpMOL);
 
    vector < Nucleus_ptr >  &GetComposition()
    {
        return fComposition;   
    }
    Nucleus_ptr GetComposition(int i)
    {
        return fComposition[i];   
    }
    void SetComposition(vector < Nucleus_ptr > f)
    {
        fComposition = f;   
    }
    Nucleus_ptr GetNucleus(int Z, int A, int I = 0);        
 
    double GetProportion(int i, ProportionUnitType ProportionUnit); 
 
    void SetProportion(int i, double proportion, ProportionUnitType ProportionUnit);
    void ResetProportion();        
 
 
    Material *Mix(Material *M2, double part, ProportionUnitType ProportionUnit = kpMOL);
 
    virtual vector < Material *> Duplicate(int N, bool TrueClone = true);    
    void Proportion2AtomCM3();  
    ProportionUnitType GetProportionUnit()
    {
        return fProportionUnit;   
    }
    double SumProportion();     
    int GetZAIIndex(ZAI *zai);  
    int GetZAIIndex(int Z, int A, int I);   
    void UpdateZAI(bool WithReactions = true, bool WithSF = true);    
    void AddToGlobalNucleiVector(); 
    void AddZAIDaughters(ZAI *zai); 
    void CFAddElement(int Z, double p)
    {
        CFAddElement(1., Z, p);
    };
    void CFAddElement(double h, int Z, double p);
    void CFAddElement(double h, string Z, double p);
    void CFAddElement(string Z, double p);
 
    void CFAddElementNucleus(int Z, int A, int I, double frac, ProportionUnitType unit);
    void CFAddElementNucleus(int Z, int A, double frac, ProportionUnitType unit)
    {
        CFAddElementNucleus(Z, A, 0, frac, unit);
    }
    void CFCalculateMaterial();
    void CFSetDensity(double dens, DensityUnitType unit)
    {
        CFDensity = dens;
        CFDensityUnit = unit;
    };
 
 
    double  GetDensity(DensityUnitType DensityUnit);    
 
    void    SetDensity(double Density, DensityUnitType DensityUnit = kdGCM3);
    DensityUnitType GetDensityUnit()
    {
        return fDensityUnit;   
    }
    double  GetTemperature()
    {
        return fTemperature;   
    }
    void    SetTemperature(double T = 293.6);       
    bool    HasModerator()
    {
        return (fModeratorName.size() > 0);   
    }
    void    SetModeratorName(string name)
    {
        fModeratorName = name;   
    }
    string  GetModeratorName()
    {
        return fModeratorName;   
    }
    double  MeanMolarMass();                
    bool    IsFuel()
    {
        return fFuel;   
    }
    bool    IsModerator()
    {
        return fModerator;   
    }
    bool    IsCladding()
    {
        return fCladding;   
    }
    bool    IsCoolant()
    {
        return fCoolant;   
    }
    bool    IsCoolantGap()
    {
        return fCoolantGap;   
    }
    bool    IsModeratorBox()
    {
        return fModeratorBox;   
    }
    bool    IsControlMaterial()
    {
        return fControlMaterial;   
    }
    void    SetFuel(bool flag = true)
    {
        fFuel = flag;   
    }
    void    SetModerator(bool flag = true)
    {
        fModerator = flag;   
    }
    void    SetCladding(bool flag = true)
    {
        fCladding = flag;   
    }
    void    SetCoolant(bool flag = true)
    {
        fCoolant = flag;   
    }
    void    SetCoolantGap(bool flag = true)
    {
        fCoolantGap = flag;   
    }
    void    SetModeratorBox(bool flag = true)
    {
        fModeratorBox = flag;   
    }
 
 
 
    string  PrintAll();        
    string  PrintCompositionInfo(); 
 
    void    ForbidPrint()
    {
        fPrintable = false;
    }
    void    EnablePrint()
    {
        fPrintable = true;   
    }
 
 
 
    void SetPseudoMaterial();
    bool IsPseudoMaterial()
    {
        return fPseudoMaterial;   
    }
 
    bool IsPrintable()
    {
        return fPrintable;   
    }
 
 
    string PrintDensityUnit(DensityUnitType DensityUnit = kdUNDEFINED);
 
    string PrintProportionUnit(ProportionUnitType ProportionUnit = kpUNDEFINED);
    void DumpMaterial(string filename = "material.dat");    
    void DumpCompositionInfo(string name = "CompInfo.dat");    
 
    void DumpMaterial(string Filename, double Mass, double Volume);
 
    int     GetNumber()
    {
        return fNumber;   
    }
    void    SetNumber(int n)
    {
        fNumber = n;   
    }
 
 
    void    SetDefaultXSExtension(string name);
    string  GetDefaultXSExtension()
    {
        return fDefaultXSExtension;   
    }
    void    SetEvolution();                 
    bool    IsEvolving()
    {
        return fEvolution;   
    }
    bool    IsPerturbative()
    {
        return fPerturbative;   
    }
    void    SetPerturbative(bool flag = true)
    {
        fPerturbative = flag;   
    }
 
    void    SortCompositionByAmount();  
    void    SortCompositionByMass();    
    void    FindTotalSigmaPerNucleus(); 
    Material *GetFatherOfPseudoClone()
    {
        return fFatherOfPseudoClone;   
    }
    void    SetTemperatureEvolution(bool flag = true);    
 
    bool    IsOutCore()
    {
        return fOutCore;   
    }
    Cell    *SetOutCore(int TheNumber, double TheVolume);
    void    SetMaterialName(string name)
    {
        fMaterialName = name;   
    }
    string  GetMaterialName()
    {
        return fMaterialName;   
    }
 
    void    SetIsPerturbativeTallyMaterial(bool f = true)
    {
        fIsPerturbativeTallyMaterial = f;
    }
    bool    IsPerturbativeTallyMaterial()
    {
        return fIsPerturbativeTallyMaterial;
    }
    //________________________________________________________________________
    bool    IsZAIInTree(ZAI *zai)
    {
        return IsZAIInTree(zai->Z(), zai->A(), zai->I());
    }
    //________________________________________________________________________
    bool IsZAIInTree(int Z, int A, int I);
    ZAI *GetZAIInTree(ZAI *zai)
    {
        return GetZAIInTree(zai->Z(), zai->A(), zai->I());
    }
    //________________________________________________________________________
    ZAI *GetZAIInTree(int Z, int A, int I);
 
 
  protected:
 
    Material(Material *m);
 
    int     fNumber;    
    double  fDensity;   
    DensityUnitType fDensityUnit;   
    ProportionUnitType fProportionUnit;
    double  fTemperature;
 
    bool    fEvolution;             
    bool    fTemperatureEvolution;  
 
    bool    fPerturbative;          
    string  fModeratorName;         
    string  fMaterialName;          
    string  fDefaultXSExtension;    
 
    bool    fUpdated;               
 
    vector  < Nucleus_ptr > fComposition;   
    vector  < double >   fProportion;       
    map     < int, map < int, map < int, int > > >    fIndex;      
    Material *fFatherOfPseudoClone; 
    bool    fFuel;      
    bool    fModerator; 
    bool    fModeratorBox;  
    bool    fCladding;  
    bool    fCoolant;   
    bool    fCoolantGap;
 
    bool    fPrintable;            
    bool    fOutCore;            
    bool    fPseudoMaterial;    
    bool    fControlMaterial;   
    bool    fIsPerturbativeTallyMaterial;
 
    vector < int > CFElements;
    vector < double > CFps;
    vector < double > CFhs;
    vector< vector <ZAI *> > CFIsotopes;
    vector< vector <double> > CFIsotopeProportions;
    vector < double > CFElementMolarMass;
    vector < double > CFElementRho;
    vector<ProportionUnitType> CFPropElement;
    double fCFMeanMolarMass;
    double CFDensity;
    DensityUnitType CFDensityUnit;
 
 
};
#endif