// This example shows how to calculate the fingerprints
// of molecules streamed in as a smiles

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

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

// --- boost inclusions :
#include <boost/dynamic_bitset.hpp>

int main() {
  using namespace std;
  using namespace morpho::cdl;
  
  while( !cin.eof() ) {
    nail_juice<>  j;
    get_juice_from_stream(cin, j, 0, smiles_formatT());
    // check if the mol in non empty :
    if (!j.good()) continue;
    // get the molecule :
    molecule<>	m(j);
    
    // parameter to the fingerprint calculation :
    unsigned int max_path_lenght = 7;
    unsigned int fp_size = 1024;
    // calculate the fingerprint :
    boost::dynamic_bitset<>   fingerprint = generate_fingerprint(m,max_path_lenght,fp_size);
    
    // now stream the FP out :
    std::string  str_bitset;
    boost::to_string(fingernail,str_bitset);
    cout << str_bitset << endl;
    
  }

  return 0;
}