KIM_ComputeArgumentName.h

Go to the documentation of this file.

/*                                                                            */
/* KIM-API: An API for interatomic models                                     */
/* Copyright (c) 2013--2022, Regents of the University of Minnesota.          */
/* All rights reserved.                                                       */
/*                                                                            */
/* Contributors:                                                              */
/*    Ryan S. Elliott                                                         */
/*                                                                            */
/* SPDX-License-Identifier: LGPL-2.1-or-later                                 */
/*                                                                            */
/* This library 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.         */
/*                                                                            */
/* This library 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 this library; if not, write to the Free Software Foundation,    */
/* Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA         */
/*                                                                            */

/*                                                                            */
/* Release: This file is part of the kim-api-2.3.0 package.                   */
/*                                                                            */


#ifndef KIM_COMPUTE_ARGUMENT_NAME_H_
#define KIM_COMPUTE_ARGUMENT_NAME_H_

/* Forward declarations */
#ifndef KIM_DATA_TYPE_DEFINED_
#define KIM_DATA_TYPE_DEFINED_

typedef struct KIM_DataType KIM_DataType;
#endif


struct KIM_ComputeArgumentName
{
  int computeArgumentNameID;
};
#ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
#define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_

typedef struct KIM_ComputeArgumentName KIM_ComputeArgumentName;
#endif

KIM_ComputeArgumentName
KIM_ComputeArgumentName_FromString(char const * const str);

int KIM_ComputeArgumentName_Known(
    KIM_ComputeArgumentName const computeArgumentName);

int KIM_ComputeArgumentName_Equal(KIM_ComputeArgumentName const lhs,
                                  KIM_ComputeArgumentName const rhs);

int KIM_ComputeArgumentName_NotEqual(KIM_ComputeArgumentName const lhs,
                                     KIM_ComputeArgumentName const rhs);

char const * KIM_ComputeArgumentName_ToString(
    KIM_ComputeArgumentName const computeArgumentName);

extern KIM_ComputeArgumentName const
    KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles;

extern KIM_ComputeArgumentName const
    KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes;

extern KIM_ComputeArgumentName const
    KIM_COMPUTE_ARGUMENT_NAME_particleContributing;

extern KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_coordinates;

extern KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialEnergy;

extern KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialForces;

extern KIM_ComputeArgumentName const
    KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy;

extern KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialVirial;

extern KIM_ComputeArgumentName const
    KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial;

void KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames(
    int * const numberOfComputeArgumentNames);

int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName(
    int const index, KIM_ComputeArgumentName * const computeArgumentName);

int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType(
    KIM_ComputeArgumentName const computeArgumentName,
    KIM_DataType * const dataType);

#endif /* KIM_COMPUTE_ARGUMENT_NAME_H_ */