Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
KineticsSensitivity.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright © 2014-2024 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/Equilibrium/EquilibriumSensitivity.hpp>
22 
23 namespace Reaktoro {
24 
35 {
36 public:
39 
41  explicit KineticsSensitivity(EquilibriumSpecs const& specs);
42 
45 
47  auto initialize(EquilibriumSpecs const& specs) -> void;
48 
50  auto dnddt() const -> VectorXdConstRef;
51 
53  auto dpddt() const -> VectorXdConstRef;
54 
56  auto dqddt() const -> VectorXdConstRef;
57 
59  auto duddt() const -> VectorXdConstRef;
60 };
61 
62 } // namespace Reaktoro
The sensitivity derivatives of a chemical equilibrium state.
Definition: EquilibriumSensitivity.hpp:37
The class used to define conditions to be satisfied at chemical equilibrium.
Definition: EquilibriumSpecs.hpp:281
The sensitivity derivatives of a chemical equilibrium state.
Definition: KineticsSensitivity.hpp:35
auto dnddt() const -> VectorXdConstRef
Return the derivatives of the species amounts n with respect to time step Δt.
auto initialize(EquilibriumSpecs const &specs) -> void
Initialize this KineticsSensitivity object with given equilibrium problem specifications.
KineticsSensitivity()
Construct a default KineticsSensitivity object.
KineticsSensitivity(EquilibriumSpecs const &specs)
Construct a KineticsSensitivity object with given equilibrium problem specifications.
auto dpddt() const -> VectorXdConstRef
Return the derivatives of the p control variables with respect to time step Δt.
auto dqddt() const -> VectorXdConstRef
Return the derivatives of the q control variables with respect to time step Δt.
KineticsSensitivity(EquilibriumSensitivity const &other)
Construct a KineticsSensitivity object from an EquilibriumSensitivity object.
auto duddt() const -> VectorXdConstRef
Return the sensitivity derivatives of the chemical properties u with respect to time step Δt.
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
Eigen::Ref< const VectorXd > VectorXdConstRef
Convenient alias to Eigen type.
Definition: Matrix.hpp:76