ArrayHandlerIterable.h

#ifndef LINEARALGEBRA_SRC_MOLPRO_LINALG_ARRAY_ARRAYHANDLERITERABLE_H
#define LINEARALGEBRA_SRC_MOLPRO_LINALG_ARRAY_ARRAYHANDLERITERABLE_H
#include <cstddef>
#include <molpro/linalg/array/ArrayHandler.h>
#include <molpro/linalg/array/util.h>
#include <molpro/linalg/array/util/gemm.h>
#include <molpro/linalg/array/util/select.h>
#include <molpro/linalg/array/util/select_max_dot.h>
#include <numeric>
#include <stdexcept>
#include <string>
 
namespace molpro::linalg::array {
using molpro::linalg::array::util::gemm_inner_default;
using molpro::linalg::array::util::gemm_outer_default;
 
template <typename AL, typename AR = AL>
class ArrayHandlerIterable : public ArrayHandler<AL, AR> {
public:
  using typename ArrayHandler<AL, AR>::value_type_L;
  using typename ArrayHandler<AL, AR>::value_type_R;
  using typename ArrayHandler<AL, AR>::value_type;
  using typename ArrayHandler<AL, AR>::value_type_abs;
  using typename ArrayHandler<AL, AR>::ProxyHandle;
 
  ArrayHandlerIterable() = default;
  ArrayHandlerIterable(const ArrayHandlerIterable<AL, AR> &) = default;
 
  AL copy(const AR &source) override {
    auto result = util::allocate_like<AL>(source.size());
    copy(result, source);
    return result;
  };
 
  void copy(AL &x, const AR &y) override {
    using std::begin;
    using std::end;
    std::copy(begin(y), end(y), begin(x));
  };
 
  void scal(value_type alpha, AL &x) override {
    for (auto &el : x)
      el *= alpha;
  };
 
  void fill(value_type alpha, AL &x) override {
    using std::begin;
    using std::end;
    std::fill(begin(x), end(x), alpha);
  };
 
  void axpy(value_type alpha, const AR &x, AL &y) override {
    auto prof = molpro::Profiler::single();
    prof->start("ArrayHandlerIterable::axpy");
    if (x.size() < y.size())
      error("ArrayHandlerIterable::axpy() incompatible x and y arrays, x.size() < y.size()");
    using std::begin;
    using std::end;
    std::transform(begin(y), end(y), begin(x), begin(y), [alpha](auto &ely, auto &elx) { return ely + alpha * elx; });
    prof->stop();
  };
 
  value_type dot(const AL &x, const AR &y) override {
    if (x.size() > y.size())
      error("ArrayHandlerIterable::dot() incompatible x and y arrays, x.size() > y.size()");
    using std::begin;
    using std::end;
    if constexpr (molpro::linalg::is_complex<value_type>{})
      return std::inner_product(begin(x), end(x), begin(y), value_type{}, std::plus<value_type>{},
                                [](const auto &elx, const auto &ely) {
                                  return molpro::linalg::conjugate(static_cast<value_type>(elx)) *
                                         static_cast<value_type>(ely);
                                });
    else
      return std::inner_product(begin(x), end(x), begin(y), value_type{});
  };
 
  void gemm_outer(const Matrix<value_type> alphas, const CVecRef<AR> &xx, const VecRef<AL> &yy) override {
    gemm_outer_default(*this, alphas, xx, yy);
  }
 
  Matrix<value_type> gemm_inner(const CVecRef<AL> &xx, const CVecRef<AR> &yy) override {
    return gemm_inner_default(*this, xx, yy);
  }
 
  std::map<size_t, value_type_abs> select_max_dot(size_t n, const AL &x, const AR &y) override {
    if (n > x.size() || n > y.size())
      error("ArrayHandlerIterable::select_max_dot() n is too large");
    return util::select_max_dot<AL, AR, value_type, value_type_abs>(n, x, y);
  }
 
  std::map<size_t, value_type> select(size_t n, const AL &x, bool max = false, bool ignore_sign = false) override {
    if (n > x.size())
      error("ArrayHandlerIterable::select() n is too large");
    return util::select<AL, value_type>(n, x, max, ignore_sign);
  }
 
  ProxyHandle lazy_handle() override { return this->lazy_handle(*this); };
 
protected:
  using ArrayHandler<AL, AR>::error;
  using ArrayHandler<AL, AR>::lazy_handle;
  using ArrayHandler<AL, AR>::m_lazy_handles;
 
  template <typename T, typename S>
  [[deprecated("use util::allocate_like() followed by copy() instead")]] T copyAny(const S &source) {
    auto result = util::allocate_like<T>(source.size());
    copy(result, source);
    return result;
  }
};
 
} // namespace molpro::linalg::array
 
#endif // LINEARALGEBRA_SRC_MOLPRO_LINALG_ARRAY_ARRAYHANDLERITERABLE_H