/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright (c) 2017,2019, by the GROMACS development team, led by
 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
 * and including many others, as listed in the AUTHORS file in the
 * top-level source directory and at http://www.gromacs.org.
 *
 * GROMACS is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 *
 * GROMACS is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
 * Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public
 * License along with GROMACS; if not, see
 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
 *
 * If you want to redistribute modifications to GROMACS, please
 * consider that scientific software is very special. Version
 * control is crucial - bugs must be traceable. We will be happy to
 * consider code for inclusion in the official distribution, but
 * derived work must not be called official GROMACS. Details are found
 * in the README & COPYING files - if they are missing, get the
 * official version at http://www.gromacs.org.
 *
 * To help us fund GROMACS development, we humbly ask that you cite
 * the research papers on the package. Check out http://www.gromacs.org.
 */

/*! \internal \file
 *
 * \brief
 * Declares functions to check bias sharing properties.
 *
 * This actual sharing of biases is currently implemeted in BiasState.
 *
 * \author Berk Hess <hess@kth.se>
 * \ingroup module_awh
 */

#ifndef GMX_AWH_BIASSHARING_H
#define GMX_AWH_BIASSHARING_H

#include <cstddef>

#include <vector>

struct gmx_multisim_t;

namespace gmx
{

struct AwhParams;

/*! \brief Returns if any bias is sharing within a simulation.
 *
 * \param[in] awhParams  The AWH parameters.
 */
bool haveBiasSharingWithinSimulation(const AwhParams& awhParams);

/*! \brief Checks if biases are compatible for sharing between simulations, throws if not.
 *
 * Should be called simultaneously on the master rank of every simulation.
 * Note that this only checks for technical compatibility. It is up to
 * the user to check that the sharing physically makes sense.
 * Throws an exception when shared biases are not compatible.
 *
 * \param[in] awhParams     The AWH parameters.
 * \param[in] pointSize     Vector of grid-point sizes for each bias.
 * \param[in] multiSimComm  Struct for multi-simulation communication.
 */
void biasesAreCompatibleForSharingBetweenSimulations(const AwhParams&           awhParams,
                                                     const std::vector<size_t>& pointSize,
                                                     const gmx_multisim_t*      multiSimComm);

} // namespace gmx

#endif /* GMX_AWH_BIASSHARING_H */
