OptimizedNBEnergy.h

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//
// Linearize OS specific macros
//
#if defined(__unix__) || defined(__linux__) || defined(__APPLE__) || defined(__MACH__)
#define OS_UNIX
#endif

#if defined(__APPLE__) || defined(__MACH__)
#define OS_OSX
#endif

#if defined(_MSC_VER)
#define OS_WINDOWS
#endif

//
// API export macro
//
#if defined(OS_OSX)
#define API __attribute__((visibility("default")))
#elif defined(OS_WINDOWS)
#define API __declspec(dllexport)
#else
#define API
#endif

extern "C" {


    struct Vector3 {
        float x, y, z;
    };
    struct Vector2 {
        float x, y;
    };


    API void setupEnergyComputation(int *atomPartition, int *sizePartition, int *uniqueTypeIndices, Vector2 *paramArray, float *atomFFCharge, int nbChains, float threshold, float elecScaling, int numUTypes);
    API void ComputeNBEnergies(Vector3 *coords, float *elecEnergy, float *vdwEnergy);
}