Reaktoro
A unified framework for modeling chemically reactive systems
Derivatives.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright (C) 2014-2018 Allan Leal
4 //
5 // This library is free software; you can redistribute it and/or
6 // modify it under the terms of the GNU Lesser General Public
7 // License as published by the Free Software Foundation; either
8 // version 2.1 of the License, or (at your option) any later version.
9 //
10 // This library is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13 // Lesser General Public License for more details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Math/Matrix.hpp>
22 
23 namespace Reaktoro {
24 
26 using ScalarFunction = std::function<double(VectorConstRef)>;
27 
29 using VectorFunction = std::function<Vector(VectorConstRef)>;
30 
37 auto derivativeForward(const ScalarFunction& f, VectorConstRef x) -> Vector;
38 
45 auto derivativeBackward(const ScalarFunction& f, VectorConstRef x) -> Vector;
46 
53 auto derivativeCentral(const ScalarFunction& f, VectorConstRef x) -> Vector;
54 
62 
70 
78 
79 } // namespace Reaktoro
auto derivativeForward(const ScalarFunction &f, VectorConstRef x) -> Vector
Calculate the partial derivatives of a scalar function using a 1st-order forward finite difference sc...
Definition: Derivatives.cpp:31
auto derivativeCentral(const ScalarFunction &f, VectorConstRef x) -> Vector
Calculate the partial derivatives of a scalar function using a 2nd-order central finite difference sc...
Definition: Derivatives.cpp:63
auto derivativeBackward(const ScalarFunction &f, VectorConstRef x) -> Vector
Calculate the partial derivatives of a scalar function using a 1st-order backward finite difference s...
Definition: Derivatives.cpp:47
std::function< double(VectorConstRef)> ScalarFunction
Define a scalar function type.
Definition: Derivatives.hpp:26
std::function< Vector(VectorConstRef)> VectorFunction
Define a vector function type.
Definition: Derivatives.hpp:29
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
Eigen::MatrixXd Matrix
Alias to Eigen type MatrixXd.
Definition: Matrix.hpp:42
Eigen::Ref< const Eigen::VectorXd > VectorConstRef
< Alias to Eigen type Ref<VectorXd>.
Definition: Matrix.hpp:31