material.h

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/* Author(s) :    Francois Mauger <mauger@lpccaen.in2p3.fr>
 * Creation date: 2010-09-22
 * Last modified: 2014-06-13
 *
 * License:
 *
 * Description:
 *
 *   A simple class to handle "abstract" material and their basic properties
 *
 *  Note:
 *   Some useful data here:
 *     http://www.nucsafe.com/cms/Selecting+Gamma+Detector/43.html
 *
 */

#ifndef MATERIALS_MATERIAL_H
#define MATERIALS_MATERIAL_H

// Standard Library:
#include <iostream>
#include <string>
#include <map>

// Third Party:
// - Bayeux/datatools:
#include <datatools/i_tree_dump.h>
#include <datatools/properties.h>

namespace materials {

  // Forward declarations:
  class material;
  class element;

  class compound_entry
  {
  public:

    compound_entry();

    ~compound_entry();

    bool is_valid() const;

    bool has_element() const;

    bool has_material() const;

    bool is_owned() const;

    bool has_weight() const;

    bool has_number_of_atoms() const;

    double get_weight() const;

    void set_weight(double);

    int get_number_of_atoms() const;

    void set_number_of_atoms(int);

    void set_element(const element & elt_, bool owned_ = false);

    void set_material(const material & mat_, bool owned_ = false);

    void set_element(const element * elt_, bool owned_ = true);

    void set_material(const material * mat_, bool owned_ = true);

    const element & get_element() const;

    const material & get_material() const;

    void reset();

    void reset_compound();

  private:

    bool             _owned_;       
    const element *  _elt_ptr_;     
    const material * _mat_ptr_;     
    double           _weight_;      
    int              _nb_of_atoms_; 

  };

  typedef std::map<std::string, compound_entry> composition_map_type;

  class material : public datatools::i_tree_dumpable
  {

  public:

    enum state_type {
      STATE_UNKNOWN = 0, 
      STATE_GAS     = 1, 
      STATE_LIQUID  = 2, 
      STATE_SOLID   = 3  
    };

    static std::string state_to_label(state_type);

    static state_type label_to_state(const std::string &);


    enum proportion_unit_type {
      KP_UNDEFINED    = -1, 
      KP_ATOM         =  0, 
      NUMBER_OF_ATOMS =  0, 
      KP_MASS         =  1, 
      FRACTION_MASS   =  1, 
      KP_ZA           =  2, 
      MEAN_ZA         =  2  
    };

    enum build_flag_type {
      BF_MASS_DATA  = datatools::bit_mask::bit00, 
      BF_LOCK       = datatools::bit_mask::bit31  
    };

    static double g_per_cm3();

    material();


    explicit material(const std::string & name_);


    explicit material(const char * name_);

    virtual ~material();

    bool is_composed_by_mean_z_a() const;

    bool is_composed_by_number_of_atoms() const;

    bool is_composed_by_fraction_mass() const;

    const composition_map_type &  get_composition() const;

    const std::string & get_name() const;

    void set_name(const std::string &);

    double get_mean_z() const;

    double get_mean_a() const;

    void set_mean_z_a(double z_, double a_);

    bool has_state() const;

    void set_state(state_type state_);

    state_type get_state() const;

    bool has_density() const;

    double get_density() const;

    void set_density(double);

    bool has_pressure() const;

    void set_pressure(double);

    double get_pressure() const;

    bool has_temperature() const;

    void set_temperature(double);

    double get_temperature() const;

    void add_element_by_mass(const element & elt_ref_ , double weight_  , bool owned_ = false);

    void add_element_by_mass(const element * elt_ptr_ , double weight_ );

    void add_element_by_nb_of_atoms(const element & elt_ref_ , int nb_of_atoms_  , bool owned_ = false);

    void add_element_by_nb_of_atoms(const element * elt_ptr_ , int nb_of_atoms_   );

    void add_material_by_mass(const material & mat_ref_ , double weight_  , bool owned_ = false);

    void add_material_by_mass(const material * mat_ptr_ , double weight_ );

    void build(unsigned int build_flags_ = 0);

    bool is_locked() const;

    void lock();

    void unlock();

    const datatools::properties & get_properties() const;

    datatools::properties & grab_properties();

    void reset();

    virtual void tree_dump(std::ostream & out_  = std::clog,
                           const std::string & title_  = "",
                           const std::string & indent_ = "",
                           bool inherit_ = false) const;

  protected:

    void _set_defaults();

  private :

    void _compute_molar_mass_();

    void _set_mean_z_(double);

    void _set_mean_a_(double);

    void _normalize_weights_();

  private:

    bool        _locked_;  
    std::string _name_;    
    double      _density_; 
    state_type  _state_; 
    double      _pressure_; 
    double      _temperature_; 
    double      _mean_z_;  
    double      _mean_a_;  
    datatools::properties _properties_;      
    proportion_unit_type  _proportion_unit_; 
    composition_map_type  _composition_;     

  };

} // end of namespace materials

#endif // MATERIALS_MATERIAL_H

/*
** Local Variables: --
** mode: c++ --
** c-file-style: "gnu" --
** tab-width: 2 --
** End: --
*/