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) 2014-2015 Allan Leal
4 //
5 // This program is free software: you can redistribute it and/or modify
6 // it under the terms of the GNU General Public License as published by
7 // the Free Software Foundation, either version 3 of the License, or
8 // (at your option) any later version.
9 //
10 // This program 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
13 // GNU General Public License for more details.
14 //
15 // You should have received a copy of the GNU General Public License
16 // along with this program. 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(const Vector&)>;
27 
29 using VectorFunction = std::function<Vector(const Vector&)>;
30 
37 auto derivativeForward(const ScalarFunction& f, const Vector& x) -> Vector;
38 
45 auto derivativeBackward(const ScalarFunction& f, const Vector& x) -> Vector;
46 
53 auto derivativeCentral(const ScalarFunction& f, const Vector& x) -> Vector;
54 
61 auto derivativeForward(const VectorFunction& f, const Vector& x) -> Matrix;
62 
69 auto derivativeBackward(const VectorFunction& f, const Vector& x) -> Matrix;
70 
77 auto derivativeCentral(const VectorFunction& f, const Vector& x) -> Matrix;
78 
79 } // namespace Reaktoro
Eigen::MatrixXd Matrix
Define an alias to the matrix type of the Eigen library.
Definition: Matrix.hpp:387
auto derivativeCentral(const ScalarFunction &f, const Vector &x) -> Vector
Calculate the partial derivatives of a scalar function using a 2nd-order central finite difference sc...
Definition: Derivatives.cpp:63
std::function< double(const Vector &)> ScalarFunction
Define a scalar function type.
Definition: Derivatives.hpp:26
Eigen::VectorXd Vector
Define an alias to the vector type of the Eigen library.
Definition: Matrix.hpp:384
auto derivativeForward(const ScalarFunction &f, const Vector &x) -> Vector
Calculate the partial derivatives of a scalar function using a 1st-order forward finite difference sc...
Definition: Derivatives.cpp:31
std::function< Vector(const Vector &)> VectorFunction
Define a vector function type.
Definition: Derivatives.hpp:29
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
auto derivativeBackward(const ScalarFunction &f, const Vector &x) -> Vector
Calculate the partial derivatives of a scalar function using a 1st-order backward finite difference s...
Definition: Derivatives.cpp:47