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//
//  Copyright (c) 2014, Novartis Institutes for BioMedical Research Inc.
//  All rights reserved.
// 
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met: 
//
//     * Redistributions of source code must retain the above copyright 
//       notice, this list of conditions and the following disclaimer.
//     * Redistributions in binary form must reproduce the above
//       copyright notice, this list of conditions and the following 
//       disclaimer in the documentation and/or other materials provided 
//       with the distribution.
//     * Neither the name of Novartis Institutes for BioMedical Research Inc. 
//       nor the names of its contributors may be used to endorse or promote 
//       products derived from this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//

#ifndef RD_REACTION_RUNNER_H
#define RD_REACTION_RUNNER_H


#include <GraphMol/ChemReactions/Reaction.h>
#include <GraphMol/ROMol.h>

namespace RDKit{
 //! Runs the reaction on a set of reactants
 /*!
   \param rxn:       the template reaction we are interested
   \param reactants: the reactants to be used. The length of this must be equal to
                     rxn->getNumReactantTemplates()
                     Caution: The order of the reactant templates determines the order of the reactants!

   \return a vector of vectors of products. Each subvector will be
           rxn->getNumProductTemplates() long.

   We return a vector of vectors of products because each individual template may
   map multiple times onto its reactant. This leads to multiple possible result
   sets.
 */
  std::vector<MOL_SPTR_VECT> run_Reactants(const ChemicalReaction& rxn, const MOL_SPTR_VECT& reactants);

} // end of RDKit namespace


#endif