ARTnResource.h

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/*
 * This file is part of eOn.
 *
 * SPDX-License-Identifier: BSD-3-Clause
 *
 * Copyright (c) 2010--present, eOn Development Team
 * All rights reserved.
 *
 * Repo:
 * https://github.com/TheochemUI/eOn
 */
 
#pragma once

 
#include "eon/DynLib.h"
#include <mutex>
#include <stdexcept>
#include <string>
 
namespace eonc {
 
class ARTnResource {
public:
  // ARTn C API function pointer types (from artn.h)
  using artn_create_fn = int (*)();
  using setup_artn_fn = void (*)(const int nat, bool *cerr);
  using artn_fn = void (*)(const int nat, const double *etot, const double *f,
                           int const *ityp, double *const tau, const int *order,
                           const double *lat, const int *if_pos, int *disp_code,
                           double *disp_vec, bool *lconv);
  using artn_destroy_fn = void (*)();
  using set_param_fn = int (*)(const char *const name, const int crank,
                               const int *csize, const void *cval);
  using get_param_fn = int (*)(const char *name, void *cval);
  using get_runparam_fn = int (*)(const char *name, void *cval);
  using get_data_fn = int (*)(const char *name, void **cval);
  using print_caller_fn = void (*)();
  using artn_step_fn = void (*)(const int nat, const double etot,
                                double *const force, int const *ityp,
                                double *const pos, const double *box,
                                const int *if_pos, double *displ_vec,
                                bool *lconv);
  using get_error_fn = int (*)(void **cmsg);

  static ARTnResource &instance();

  std::mutex library_mutex;

  [[nodiscard]] bool is_loaded() const noexcept { return m_loaded; }

  void require_loaded() const;
 
  // Function pointer accessors
  artn_create_fn get_create_fn() const { return artn_create_; }
  setup_artn_fn get_setup_fn() const { return setup_artn_; }
  artn_fn get_artn_fn() const { return artn_; }
  artn_destroy_fn get_destroy_fn() const { return artn_destroy_; }
  set_param_fn get_set_param_fn() const { return set_param_; }
  get_param_fn get_get_param_fn() const { return get_param_; }
  get_runparam_fn get_get_runparam_fn() const { return get_runparam_; }
  get_data_fn get_get_data_fn() const { return get_data_; }
  print_caller_fn get_print_caller_fn() const { return print_caller_; }
  artn_step_fn get_artn_step_fn() const { return artn_step_; }
  get_error_fn get_get_error_fn() const { return get_error_; }

  ARTnResource(const ARTnResource &) = delete;
  ARTnResource &operator=(const ARTnResource &) = delete;
 
private:
  ARTnResource();
  ~ARTnResource();
 
  bool m_loaded{false};
  dynlib::Handle m_handle{};
 
  // Loaded function pointers (null if library not found)
  artn_create_fn artn_create_{nullptr};
  setup_artn_fn setup_artn_{nullptr};
  artn_fn artn_{nullptr};
  artn_destroy_fn artn_destroy_{nullptr};
  set_param_fn set_param_{nullptr};
  get_param_fn get_param_{nullptr};
  get_runparam_fn get_runparam_{nullptr};
  get_data_fn get_data_{nullptr};
  print_caller_fn print_caller_{nullptr};
  artn_step_fn artn_step_{nullptr};
  get_error_fn get_error_{nullptr};

  template <typename Fn> Fn load_sym(const char *name) const {
    return reinterpret_cast<Fn>(dynlib::sym(m_handle, name));
  }
};

inline ARTnResource &get_artn_resource() { return ARTnResource::instance(); }
 
} // namespace eonc