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//
// Modifying molecules example8.cpp
#include <iostream>
#include <GraphMol/GraphMol.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/MolOps.h>
int main( int argc , char **argv ) {
RDKit::ROMOL_SPTR mol1( RDKit::SmilesToMol( "CCO" ) );
std::cout << "Number of atoms : " << mol1->getNumAtoms() << std::endl;
RDKit::ROMOL_SPTR mol2( RDKit::MolOps::addHs( *mol1 ) );
std::cout << "Number of atoms : " << mol2->getNumAtoms() << std::endl;
RDKit::RWMOL_SPTR mol3( new RDKit::RWMol( *mol2 ) );
RDKit::MolOps::removeHs( *mol3 );
std::cout << "Number of atoms : " << mol3->getNumAtoms() << std::endl;
}
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