TestCudaAmoebaForceFromParameterFile.cpp

/* -------------------------------------------------------------------------- *
 *                                   OpenMMAmoeba                             *
 * -------------------------------------------------------------------------- *
 * This is part of the OpenMM molecular simulation toolkit originating from   *
 * Simbios, the NIH National Center for Physics-Based Simulation of           *
 * Biological Structures at Stanford, funded under the NIH Roadmap for        *
 * Medical Research, grant U54 GM072970. See https://simtk.org.               *
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 * Portions copyright (c) 2008 Stanford University and the Authors.           *
 * Authors: Peter Eastman                                                     *
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/**
 * This tests the Cuda implementation of HarmonicBondForce.
 */

#include "AmoebaTinkerParameterFile.h"
#include <iostream>
#include <vector>

using namespace OpenMM;

const double TOL = 1e-5;

int main( int numberOfArguments, char* argv[] ) {

    try {
        std::cout << "Running test..." << std::endl;
        Platform::loadPluginsFromDirectory( Platform::getDefaultPluginsDirectory() );
        if( numberOfArguments > 1 ){
            MapStringString argumentMap;
            argumentMap[INCLUDE_OBC_CAVITY_TERM] = "0";
            appendInputArgumentsToArgumentMap( numberOfArguments, argv, argumentMap );
            runTestsUsingAmoebaTinkerParameterFile( argumentMap );
        }        
    }
    catch(const std::exception& e) {
        std::cout << "exception: " << e.what() << std::endl;
        std::cout << "FAIL - ERROR.  Test failed." << std::endl;
        return 1;
    }
    std::cout << "PASS - Test succeeded." << std::endl;
    return 0;
}