// This example shows how to access the vertex and edge set,
// the properties that maps from each (atoms and bonds),
// the adjacent atoms and the incident bonds.

// Suppose that we are streaming in a smiles:
// i.e. from the command line: "accessing_props < smile.smi"

// --- std inclusions :
#include <iostream>

// --- morpho inclusions :
#include <morpho/cdl/molecule/molecule.hpp>
#include <morpho/cdl/parsers/parsers.cpp>

using namespace morpho::cdl;
using namespace std;

int main() {
  typedef molecule<>    molecule_t;
// let go through all stream :
while( !std::cin.eof() ) {

  // get the molecule :
  nail_juice<>  juice;
  get_juice_from_stream(std::cin, juice, 0, smiles_formatT());
  
  // Now we construct the molecule:
  molecule_t    mol(juice);
  
  // First access the vertex Set :
  // declare the iterators :
  molecule_t::vertex_iterator  vi, vi_end;
  // get the iteretors of the molecule :
  tie(vi,vi_end)=mol.vertices();
  while(vi,vi_end) {
    // print the vertex descriptor :
    cout << "==========================\n";
    cout << "        Vertex : " << *vi << endl;
    cout << "==========================\n";
    
    // access the adjacent vertices :
    molecule_t::adjacency_iterator  adjacent_i, adjacent_i_end;
    tie(adjacent_i,adjacent_i_end)=mol.adjacent_vertices(*vi);
    cout << "-- adjacent vertices --\n";
    while(adjacent_i!=adjacent_i_end) {
      cout << "   " << *adjacent_i << " ";
      ++adjacent_i;
    }
    cout << endl;
    
    // access the incident edges :
    molecule_t::out_edge_iterator  inc_e_i, inc_e_i_end;
    tie(inc_e_i,inc_e_i_end)= mol.incident_edges(*vi);
    cout << "-- incident edges --\n";
    while(inc_e_i!=inc_e_i_end) {
      cout << "   source : " << mol.source(*inc_e_i) << ", target: " << mol.target(*inc_e_i) << endl;
      ++inc_e_i;
    }
    cout << endl;
    
    // Now get the properties that this vertex maps to :
    molecule_t::atom_type& atom = mol.get_atom(*vi);
    // Now print one of the members :
    cout << "  Atomic property: atomic number : " << 
      AtomProperty<atomic_numberS,molecule_t::atom_type>::get(atom) << endl;
    cout << endl;
    ++vi;
  }
  
  // Now let's access the edges :
  molecule_t::edge_iterator  ei, ei_end;
  tie(ei,ei_end)=mol.edges();
  while(ei,ei_end) {
    cout << "==========================\n";
    cout << "        Edge : (" << mol.source(*ei) << "," << mol.target(*ei) << ")" << endl;
    cout << "==========================\n";
    
    // Get the bond that maps to this edge :
    molecule_t::bond_type&  bond = mol.get_bond(*ei);
    // Print a property of the bond :
    cout << "  is bond type : " << BondProperty<type_of_bondS,molecule_t::bond_type>::get(bond) << endl;
    ++ei;
  }
  cout << endl;
  
  // Now let's access the atom set :
  molecule_t::atom_iterator ai, ai_end;
  tie(ai,ai_end)=mol.atoms();
  while(ai!=ai_end) {
    cout << "==========================\n";
    cout << "    Atom of symbol : " << AtomProperty<symbolS,molecule_t::atom_type>::get(*ai) << endl;
    cout << "==========================\n";
    // get the incident bonds :
    molecule_t::incident_bond_iterator ibi, ibi_end;
    tie(ibi,ibi_end)=mol.incident_bonds(ai);
    while(ibi!=ibi_end) {
      cout << "   has incident bond of type : " << 
        BondProperty<type_of_bondS,molecule_t::bond_type>::get(*ibi) << endl;
      ++ibi;
    }
    ++ai;
  }
  
} // while()
  
  return 0;
}