namespace rgpot::types::adapt::xtensor

Overview

namespace xtensor {
 
// global functions
 
AtomMatrix convertToAtomMatrix(const xt::xtensor<double, 2>& matrix);
xt::xtensor<double, 2> convertToXtensor(const AtomMatrix& atomMatrix);
 
template <typename T>
std::vector<T> convertToVector(const xt::xtensor<T, 1>& vector);
 
std::array<std::array<double, 3>, 3> convertToArray3x3(const xt::xtensor<double, 2>& matrix);
 
} // namespace xtensor

Detailed Documentation

Global Functions

AtomMatrix convertToAtomMatrix(const xt::xtensor<double, 2>& matrix)

Converts an xtensor array to a native AtomMatrix.

Parameters:

matrix

The source 2D xtensor array.

Returns:

An AtomMatrix containing the copied data.

xt::xtensor<double, 2> convertToXtensor(const AtomMatrix& atomMatrix)

Converts a native AtomMatrix to an xtensor array.

Parameters:

atomMatrix

The source native matrix.

Returns:

A 2D xt::xtensor containing the data.

template <typename T>
std::vector<T> convertToVector(const xt::xtensor<T, 1>& vector)

Converts a 1D xtensor to a standard vector.

Parameters:

vector

The source 1D xtensor.

Returns:

A std::vector containing the data.

std::array<std::array<double, 3>, 3> convertToArray3x3(const xt::xtensor<double, 2>& matrix)

Converts a 3x3 xtensor to a nested standard array.

Parameters:

matrix

The 3x3 xtensor array.

Returns:

A nested std::array representing the matrix.