hpc_rmsd.h

// -*-c++-*-
#ifndef STORMM_HPC_RMSD_H
#define STORMM_HPC_RMSD_H
 
#ifdef STORMM_USE_CUDA
#include <cuda_runtime.h>
#endif
#include "copyright.h"
#include "Accelerator/core_kernel_manager.h"
#include "Accelerator/hybrid.h"
#include "Analysis/comparison_guide.h"
#include "Constants/behavior.h"
#include "Synthesis/phasespace_synthesis.h"
#include "rmsd_plan.h"
 
namespace stormm {
namespace structure {
 
using analysis::ComparisonGuide;
using card::Hybrid;
using card::CoreKlManager;
using constants::PrecisionModel;
using synthesis::PhaseSpaceSynthesis;

cudaFuncAttributes queryRMSDKernelRequirements(PrecisionModel prec, RMSDTask order);

void rmsd(const ComparisonGuide &cg, const RMSDPlan &rplan, const PhaseSpaceSynthesis &poly_ps,
          const Hybrid<int> &reference_frames, Hybrid<double> *result,
          const CoreKlManager &launcher);
 
void rmsd(const ComparisonGuide &cg, const RMSDPlan &rplan, const PhaseSpaceSynthesis &poly_ps,
          const Hybrid<int> &reference_frames, Hybrid<float> *result,
          const CoreKlManager &launcher);
 
void rmsd(const ComparisonGuide &cg, const RMSDPlan &rplan, const PhaseSpaceSynthesis &poly_ps,
          Hybrid<double> *result, const CoreKlManager &launcher);
 
void rmsd(const ComparisonGuide &cg, const RMSDPlan &rplan, const PhaseSpaceSynthesis &poly_ps,
          Hybrid<float> *result, const CoreKlManager &launcher);
 
} // namespace structure
} // namespace stormm
 
#endif