Utils.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright (C) 2014-2018 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
 
// C++ includes
#include <functional>
 
// Reaktoro includes
#include <Reaktoro/Math/Matrix.hpp>
 
namespace Reaktoro {
 
auto largestStep(VectorConstRef p, VectorConstRef dp) -> double;
 
auto fractionToTheBoundary(VectorConstRef p, VectorConstRef dp, double tau) -> double;
 
auto fractionToTheBoundary(VectorConstRef p, VectorConstRef dp, double tau, Index& ilimiting) -> double;
 
auto fractionToTheBoundary(VectorConstRef p, VectorConstRef dp, MatrixConstRef C, VectorConstRef r, double tau) -> double;
 
auto fractionToTheLowerBoundary(VectorConstRef p, VectorConstRef dp, VectorConstRef lower, double tau) -> double;
 
auto lessThan(double a, double b, double baseval) -> bool;
 
auto greaterThan(double a, double b, double baseval) -> bool;
 
auto infinity() -> double;
 
auto bfgs() -> std::function<Matrix(VectorConstRef, VectorConstRef)>;
 
auto minimizeGoldenSectionSearch(const std::function<double(double)>& f, double a, double b, double tol = 1e-5) -> double;
 
auto minimizeBrent(const std::function<double(double)>& f, double min, double max, double tolerance = 1e-5, unsigned maxiters = 100) -> double;
 
} // namespace Reaktoro