PhaseList.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/Types.hpp>
#include <Reaktoro/Core/Phase.hpp>
#include <Reaktoro/Core/SpeciesList.hpp>
 
namespace Reaktoro {
 
class PhaseList
{
public:
    PhaseList();
 
    PhaseList(std::initializer_list<Phase> phases);
 
    PhaseList(const Vec<Phase>& phases);
 
    auto append(const Phase& phase) -> void;
 
    auto data() const -> const Vec<Phase>&;
 
    auto empty() const -> bool;
 
    auto size() const -> Index;
 
    auto species() const -> SpeciesList;
 
    auto operator[](Index i) const -> const Phase&;
 
    auto operator[](Index i) -> Phase&;
 
    auto find(const String& name) const -> Index;
 
    auto findWithName(const String& name) const -> Index;
 
    auto findWithSpecies(Index index) const -> Index;
 
    auto findWithSpecies(const String& name) const -> Index;
 
    auto findWithAggregateState(AggregateState option) const -> Index;
 
    auto findWithStateOfMatter(StateOfMatter option) const -> Index;
 
    auto index(const String& name) const -> Index;
 
    auto indexWithName(const String& name) const -> Index;
 
    auto indexWithSpecies(Index index) const -> Index;
 
    auto indexWithSpecies(const String& name) const -> Index;
 
    auto indexWithAggregateState(AggregateState option) const -> Index;
 
    auto indexWithStateOfMatter(StateOfMatter option) const -> Index;
 
    auto get(const String& name) const -> const Phase&;
 
    auto getWithName(const String& name) const -> const Phase&;
 
    auto withNames(const StringList& names) const -> PhaseList;
 
    auto withStateOfMatter(StateOfMatter option) const -> PhaseList;
 
    auto withAggregateState(AggregateState option) const -> PhaseList;
 
    auto numSpeciesUntilPhase(Index iphase) const -> Index;
 
    auto indicesPhasesArePure() const -> Indices;
 
    auto indicesPhasesAreSolution() const -> Indices;
 
    auto indicesSpeciesInPurePhases() const -> Indices;
 
    auto indicesSpeciesInSolutionPhases() const -> Indices;
 
    auto indicesSpeciesInPhases(const Indices& iphases) const -> Indices;
 
    operator Vec<Phase>&();
 
    operator Vec<Phase>const&() const;
 
private:
    Vec<Phase> m_phases;
 
public:
    template<typename InputIterator>
    PhaseList(InputIterator begin, InputIterator end) : m_phases(begin, end) {}
 
    auto begin() const { return m_phases.begin(); }
 
    auto begin() { return m_phases.begin(); }
 
    auto end() const { return m_phases.end(); }
 
    auto end() { return m_phases.end(); }
 
    auto push_back(const Phase& species) -> void { append(species); }
 
    template<typename Iterator, typename InputIterator>
    auto insert(Iterator pos, InputIterator begin, InputIterator end) -> void { m_phases.insert(pos, begin, end); }
 
    using value_type = Phase;
};
 
auto operator+(const PhaseList& a, const PhaseList& b) -> PhaseList;
 
} // namespace Reaktoro