//
//  Copyright (C) 2001,2003 Greg Landrum and Rational Discovery LLC
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
#ifdef WIN32
#pragma warning (disable: 4786) // warning: long & complicated stl warning
#pragma warning (disable: 4788) // warning: long & complicated stl warning
#endif

// std bits
#include <iostream>

// RD bits
#include <GraphMol/RDKitBase.h>
#include <GraphMol/RDKitQueries.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/FileParsers/MolSupplier.h>
#include "SubstructMatch.h"
#include "SubstructUtils.h"
#include <cstdlib>

using namespace RDKit;

void test1(int stopAfter=1000){
  std::cout << " ----------------- Test 1" << std::endl;
  MatchVectType matchV;
  std::vector< MatchVectType > matches;
  std::string fName=getenv("RDBASE");
  fName += "/Data/NCI/first_5K.smi";
  int n;
  SmilesMolSupplier suppl(fName);
  RWMol *q = SmartsToMol("C1[C;X4][D3]1");
  TEST_ASSERT(q);

  for(int i=0;i<stopAfter;i++){
    ROMol *mol=suppl[i];
    if(mol){
      n = SubstructMatch(mol,q,matches,true);
    }
  }
  std::cout << "Done\n" << std::endl;
}

int main(int argc,char *argv[])
{
  test1();  
  return 0;
}