// ---------------------------------------------------------------------------
// - Periodic.hpp                                                            -
// - afnix:phy service - periodic elements class definition                  -
// ---------------------------------------------------------------------------
// - This program is free software;  you can redistribute it  and/or  modify -
// - it provided that this copyright notice is kept intact.                  -
// -                                                                         -
// - 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.  In no event shall -
// - the copyright holder be liable for any  direct, indirect, incidental or -
// - special damages arising in any way out of the use of this software.     -
// ---------------------------------------------------------------------------
// - copyright (c) 1999-2012 amaury darsch                                   -
// ---------------------------------------------------------------------------

#ifndef  AFNIX_PERIODIC_HPP
#define  AFNIX_PERIODIC_HPP

#ifndef  AFNIX_PLIST_HPP
#include "Plist.hpp"
#endif

namespace afnix {

  /// The Periodic class is a simple class that holds the fundamental 
  /// properties of the elements. Ths classificaton is based on the
  /// standard periodic element table.
  /// @author amaury darsch

  class Periodic : public Object {
  public:
    /// the element list
    enum t_elem {
      ELEM_H,  // hydrogen
      ELEM_HE, // helium
      ELEM_LI, // lithium
      ELEM_BE, // beryllium
      ELEM_B,  // boron
      ELEM_C,  // carbon
      ELEM_N,  // nitrogen
      ELEM_O,  // oxygen
      ELEM_F,  // fluorine
      ELEM_NE, // neon
      ELEM_NA, // sodium
      ELEM_MG, // magnesium
      ELEM_AL, // aluminium
      ELEM_SI, // silicon
      ELEM_P,  // phosphorus
      ELEM_S,  // sulfur
      ELEM_CL, // chlorine
      ELEM_AR, // argon
      ELEM_K,  // potassium
      ELEM_CA, // calcium
      ELEM_SC, // scandium
      ELEM_TI, // titanium
      ELEM_V,  // vanadium
      ELEM_CR, // chromium
      ELEM_MN, // manganese
      ELEM_FE, // iron
      ELEM_CO, // cobalt
      ELEM_NI, // nickel
      ELEM_CU, // copper
      ELEM_ZN, // zinc
      ELEM_GA, // gallium
      ELEM_GE, // germanium
      ELEM_AS, // arsenic
      ELEM_SE, // selenium
      ELEM_BR, // bromine
      ELEM_KR, // krypton
      ELEM_RB, // rubidium
      ELEM_SR, // strontium
      ELEM_Y,  // yttrium
      ELEM_ZR, // zirconium
      ELEM_NB, // niobium
      ELEM_MO, // molybdenum
      ELEM_TC, // technetium
      ELEM_RU, // ruthenium
      ELEM_RH, // rhodium
      ELEM_PD, // palladium
      ELEM_AG, // silver
      ELEM_CD, // cadmium
      ELEM_IN, // indium
      ELEM_SN, // tin
      ELEM_SB, // antimony
      ELEM_TE, // tellurium
      ELEM_I,  // iodine
      ELEM_XE, // xenon
      ELEM_CS, // cesium
      ELEM_BA, // barium
      ELEM_LA, // lanthanum
      ELEM_CE, // cerium
      ELEM_PR, // praseodymium
      ELEM_ND, // neodymium
      ELEM_PM, // promethium
      ELEM_SM, // samarium
      ELEM_EU, // europium
      ELEM_GD, // gadolinium
      ELEM_TB, // terbium
      ELEM_DY, // dysprosium
      ELEM_HO, // holmium
      ELEM_ER, // erbium
      ELEM_TM, // thulium
      ELEM_YB, // ytterbium
      ELEM_LU, // lutetium
      ELEM_HF, // hafnium
      ELEM_TA, // tantalum
      ELEM_W,  // tungsten
      ELEM_RE, // rhenium
      ELEM_OS, // osmium
      ELEM_IR, // iridium
      ELEM_PT, // platinum
      ELEM_AU, // gold
      ELEM_HG, // mercury
      ELEM_TL, // thallium
      ELEM_PB, // lead
      ELEM_BI, // bismuth
      ELEM_PO, // polonium
      ELEM_AT, // astatine
      ELEM_RN  // radon
    };

    /// the atomic properties
    struct s_atom {
      /// the element type
      t_elem d_elem;
      /// the element name
      String d_name;
      /// the symbol name
      String d_symn;
      /// the atomic number
      long   d_anum;
      /// the atomic weight
      t_real d_awht;
      /// the ionization energy
      t_real d_eion;
    };

    /// the band gap properties
    struct s_bgap {
      /// the energy band gap
      t_real d_eg;
      /// the varshni correction factor (alpha)
      t_real d_ega;
      /// the varshni correction factor (beta)
      t_real d_egb;
    };

    /// check if an element exists by name
    /// @param name the element name to check
    static bool exists (const String& name);

  private:
    /// the atomic properties
    s_atom d_atom;
    /// the band gap properties
    s_bgap d_bgap;

  public:
    /// create an element by name
    /// @param name the symbol name
    Periodic (const String& name);

    /// create an element by symbol type
    /// @param elem the element type
    Periodic (const t_elem elem);

    /// copy construct this object
    /// @param that the object to copy
    Periodic (const Periodic& that);

    /// assign an object to this one
    /// @param that the object to assign
    Periodic& operator = (const Periodic& that);

    /// @return the class name
    String repr (void) const;

    /// @return a clone of this object
    Object* clone (void) const;

    /// get the atomic properties
    /// @param elem the element type
    virtual s_atom getatom (void) const;
    
    /// get the band gap properties
    /// @param elem the element type
    virtual s_bgap getbgap (void) const;
    
  public:
    /// create a new object in a generic way
    /// @param argv the argument vector
    static Object* mknew (Vector* argv);
    
    /// @return true if the given quark is defined
    bool isquark (const long quark, const bool hflg) const;
    
    /// apply this object with a set of arguments and a quark
    /// @param robj  the current runnable
    /// @param nset  the current nameset    
    /// @param quark the quark to apply these arguments
    /// @param argv  the arguments to apply
    Object* apply (Runnable* robj, Nameset* nset, const long quark,
                   Vector* argv);
  };
}

#endif
