ChemicalOutput.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 <memory>
#include <vector>
#include <sstream>
#include <string>
 
namespace Reaktoro {
 
// Forward declarations
class ChemicalState;
class ChemicalSystem;
class ReactionSystem;
class StringList;
 
class ChemicalOutput
{
public:
    ChemicalOutput();
 
    explicit ChemicalOutput(const ChemicalSystem& system);
 
    explicit ChemicalOutput(const ReactionSystem& reactions);
 
    virtual ~ChemicalOutput();
 
    auto filename(std::string filename) -> void;
 
    auto filename() const -> std::string;
 
    auto suffix(std::string name) -> void;
 
    auto suffix() const -> std::string;
 
    auto basename() const -> std::string;
 
    auto extension() const -> std::string;
 
    auto add(std::string quantity) -> void;
 
    auto add(std::string quantity, std::string label) -> void;
 
    auto attachments(std::vector<std::string> titles) -> void;
 
    auto attach(int value) -> void;
 
    auto attach(double value) -> void;
 
    auto attach(std::string value) -> void;
 
    auto precision(int val) -> void;
 
    auto scientific(bool enable) -> void;
 
    auto terminal(bool enabled) -> void;
 
    auto quantities() const -> std::vector<std::string>;
 
    auto headings() const -> std::vector<std::string>;
 
    auto open() -> void;
 
    auto update(const ChemicalState& state, double t) -> void;
 
    auto close() -> void;
 
    operator bool() const;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro