MathUtils.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright © 2014-2024 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// Reaktoro includes
#include <Reaktoro/Common/Index.hpp>
#include <Reaktoro/Common/Real.hpp>
#include <Reaktoro/Common/Matrix.hpp>
 
namespace Reaktoro {
 
auto linearlyIndependentCols(MatrixXdConstRef A) -> Indices;
 
auto linearlyIndependentRows(MatrixXdConstRef A) -> Indices;
 
auto linearlyIndependentCols(MatrixXdConstRef A, MatrixXdRef B) -> Indices;
 
auto linearlyIndependentRows(MatrixXdConstRef A, MatrixXdRef B) -> Indices;
 
auto inverseShermanMorrison(MatrixXdConstRef invA, VectorXdConstRef D) -> MatrixXd;
 
auto rationalize(double x, unsigned maxden) -> std::tuple<long, long>;
 
auto cleanRationalNumbers(double* vals, long size, long maxden = 6) -> void;
 
auto cleanRationalNumbers(MatrixXdRef A, long maxden = 6) -> void;
 
auto dot3p(VectorXdConstRef x, VectorXdConstRef y, double s) -> double;
 
auto residual3p(MatrixXdConstRef A, VectorXdConstRef x, VectorXdConstRef b) -> VectorXd;
 
template<typename T, typename U>
auto largestRelativeDifference(Eigen::ArrayBase<T> const& actual, Eigen::ArrayBase<U> const& expected) -> double
{
    return ((actual - expected)/expected).abs().maxCoeff();
}
 
template<typename T, typename U>
auto largestRelativeDifferenceLogScale(Eigen::ArrayBase<T> const& actual, Eigen::ArrayBase<U> const& expected) -> double
{
    return largestRelativeDifference(actual.log(), expected.log());
}
 
} // namespace Reaktoro