#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/obconversion.h>
#include <openbabel/groupcontrib.h>

#include <stdio.h>
#include <iostream>

using namespace std;
using namespace OpenBabel;

int main(int argc, char *argv[]){

  OBConversion conv;
  conv.SetInAndOutFormats("smi","mdl");
  OBMol  mol;
  OBLogP logP;
  OBPSA  psa;
  double logP_value, psa_value;

  conv.ReadString(&mol, "c1ccccc1O");
  mol.AddHydrogens();
  
  logP_value = logP.Predict(mol);
  cout << "LogP " << logP_value << '\n';

  psa_value = psa.Predict(mol);
  cout << "TPSA " << psa_value << '\n';


}