Settings.h

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// n2p2 - A neural network potential package
// Copyright (C) 2018 Andreas Singraber (University of Vienna)
//
// This program is free software: you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published by
// the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// This program 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 General Public License for more details.
//
// You should have received a copy of the GNU General Public License
// along with this program.  If not, see <https://www.gnu.org/licenses/>.
 
#ifndef SETTINGS_H
#define SETTINGS_H
 
#include <cstddef> // std::size_t
#include <fstream> // std::ofstream
#include <map>     // std::multimap
#include <memory>  // std::shared_ptr
#include <string>  // std::string
#include <utility> // std::pair
#include <vector>  // std::vector
 
namespace nnp
{
 
class Settings
{
public:
    struct Key
    {
        bool isUnique() const {return (words.size() == 1);}
 
        std::string              description;
        std::vector<std::string> words;
    };
 
    typedef std::multimap<std::string,
                          std::pair<std::string, std::size_t> > KeyMap;
    typedef std::pair<KeyMap::const_iterator,
                      KeyMap::const_iterator>                   KeyRange;
    typedef std::map<std::string,
                     std::shared_ptr<Key>> const                KeywordList;
 
    std::string              operator[](std::string const& keyword) const;
    std::size_t              loadFile(
                                     std::string const& fileName = "input.nn");
    bool                     keywordExists(
                                       std::string const& keyword,
                                       bool               exact = false) const;
    std::string              keywordCheck(std::string const& keyword) const;
    std::string              getValue(std::string const& keyword) const;
    KeyRange                 getValues(std::string const& keyword) const;
    std::vector<std::string> info() const;
    std::vector<std::string> getSettingsLines() const;
    void                     writeSettingsFile(
                                 std::ofstream* const&        file,
                                 std::map<std::size_t,
                                          std::string> const& replacements
                                                                  = {}) const;
 
private:
    std::vector<std::string>                        lines;
    std::vector<std::string>                        log;
    KeyMap                                          contents;
    static KeywordList                              knownKeywords;
    std::string                                     fileName;
 
    void                      readFile();
    std::size_t               parseLines();
    std::pair<
    std::size_t, std::size_t> sanityCheck();
};
 
}
 
#endif