ChemistryLib/PhreeqcIOData/Output.h

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// SPDX-FileCopyrightText: Copyright (c) OpenGeoSys Community (opengeosys.org)
// SPDX-License-Identifier: BSD-3-Clause
 
#pragma once
 
#include <algorithm>
#include <iosfwd>
#include <iterator>
#include <string>
#include <vector>
 
namespace ChemistryLib
{
namespace PhreeqcIOData
{
class BasicOutputSetups
{
public:
    explicit BasicOutputSetups(std::string const& project_file_name,
                               bool const use_high_precision_);
 
    static int getNumberOfItemsInDisplay()
    {
        return display_simulation_id + display_state + display_solution_id +
               display_distance + display_current_time + display_time_step +
               display_pH + display_pe;
    }
 
    static int getNumberOfDroppedItems()
    {
        return display_simulation_id + display_state + display_solution_id +
               display_distance + display_current_time + display_time_step;
    }
 
    friend std::ostream& operator<<(
        std::ostream& os, BasicOutputSetups const& basic_output_setups);
 
    std::string const output_file;
 
private:
    static const bool display_simulation_id = false;
    static const bool display_state = true;
    static const bool display_solution_id = true;
    static const bool display_distance = false;
    static const bool display_current_time = false;
    static const bool display_time_step = false;
    static const bool display_pH = true;
    static const bool display_pe = true;
    bool const use_high_precision;
};

enum class ItemType
{
    pH,
    pe,
    Component,
    EquilibriumReactant,
    KineticReactant,
    SecondaryVariable
};

struct OutputItem
{
    OutputItem(std::string name_, ItemType item_type_)
        : name(std::move(name_)), item_type(item_type_)
    {
    }
 
    std::string const name;
    ItemType const item_type;
};

struct Output
{
    Output(BasicOutputSetups&& basic_output_setups_,
           std::vector<OutputItem>&& accepted_items_,
           std::vector<int>&& dropped_item_ids_)
        : basic_output_setups(std::move(basic_output_setups_)),
          accepted_items(std::move(accepted_items_)),
          dropped_item_ids(std::move(dropped_item_ids_))
    {
    }
 
    std::vector<OutputItem> getOutputItemsByItemType(ItemType item_type) const
    {
        std::vector<OutputItem> matching_items;
        std::copy_if(accepted_items.cbegin(),
                     accepted_items.cend(),
                     std::back_inserter(matching_items),
                     [&item_type](OutputItem const& accepted_item)
                     { return accepted_item.item_type == item_type; });
        return matching_items;
    }
 
    friend std::ostream& operator<<(std::ostream& os, Output const& output);
 
    BasicOutputSetups const basic_output_setups;
    std::vector<OutputItem> const accepted_items;
    std::vector<int> const dropped_item_ids;
};
}  // namespace PhreeqcIOData
}  // namespace ChemistryLib