Detailed Description

Definition at line 20 of file Dump.h.

#include <Dump.h>

Public Member Functions
	Dump ()=default
	Dump (std::string const &project_file_name)
void	print (std::ostream &os, std::size_t const num_chemical_systems) const
void	readDumpFile (std::istream &in, std::size_t const num_chemical_systems)
void	readDumpFromString (std::string_view dump_content, std::size_t const num_chemical_systems)
void	readDumpFromStringForSystem (std::string_view dump_content, std::size_t const chemical_system_id, std::size_t const num_chemical_systems)

Public Attributes
std::string	dump_file
std::vector< std::string >	aqueous_solutions_prev

Constructor & Destructor Documentation

◆ Dump() [1/2]

ChemistryLib::PhreeqcIOData::Dump::Dump ( )

default

◆ Dump() [2/2]

ChemistryLib::PhreeqcIOData::Dump::Dump ( std::string const & project_file_name )

inlineexplicit

Definition at line 24 of file Dump.h.

        : dump_file(specifyFileName(project_file_name, ".dmp"))
    {
        try
        {
            if (std::filesystem::remove(dump_file))
            {
                INFO("Deleted the redundant phreeqc dump file {:s}\n",
                     dump_file);
            }
        }
        catch (std::filesystem::filesystem_error const& e)
        {
            ERR("filesystem error: {:s}\n", e.what());
        }
    }

References dump_file, ERR(), INFO(), and ChemistryLib::PhreeqcIOData::specifyFileName().

Member Function Documentation

◆ print()

void ChemistryLib::PhreeqcIOData::Dump::print	(	std::ostream &	os,
		std::size_t const	num_chemical_systems ) const

Definition at line 60 of file Dump.cpp.

{
    os << "DUMP"
       << "\n";
    os << "-file " << dump_file << "\n";
    os << "-append false"
       << "\n";
    os << "-solution 1-" << num_chemical_systems << "\n";
    os << "END"
       << "\n";
}

References dump_file.

◆ readDumpFile()

void ChemistryLib::PhreeqcIOData::Dump::readDumpFile	(	std::istream &	in,
		std::size_t const	num_chemical_systems )

Definition at line 72 of file Dump.cpp.

{
    aqueous_solutions_prev = parseDumpContent(in, num_chemical_systems);
}

References aqueous_solutions_prev.

Referenced by readDumpFromString().

◆ readDumpFromString()

void ChemistryLib::PhreeqcIOData::Dump::readDumpFromString	(	std::string_view	dump_content,
		std::size_t const	num_chemical_systems )

Definition at line 78 of file Dump.cpp.

{
    std::istringstream in{std::string(dump_content)};
    readDumpFile(in, num_chemical_systems);
}

References readDumpFile().

◆ readDumpFromStringForSystem()

void ChemistryLib::PhreeqcIOData::Dump::readDumpFromStringForSystem	(	std::string_view	dump_content,
		std::size_t const	chemical_system_id,
		std::size_t const	num_chemical_systems )

Parse dump data for a single chemical system from parallel execution. In parallel mode, each PHREEQC instance produces dump for solution 1, which needs to be mapped to the correct chemical_system_id.

Definition at line 85 of file Dump.cpp.

{
    if (aqueous_solutions_prev.size() < num_chemical_systems)
    {
        aqueous_solutions_prev.resize(num_chemical_systems);
    }
 
    std::istringstream in{std::string(dump_content)};
    auto parsed =
        parseDumpContent(in, num_chemical_systems, chemical_system_id);
    if (parsed.empty())
    {
        WARN("No SOLUTION_RAW found in dump for chemical system {}.",
             chemical_system_id);
        return;
    }
    aqueous_solutions_prev[chemical_system_id] = std::move(parsed[0]);
}

References aqueous_solutions_prev, and WARN().

Member Data Documentation

◆ aqueous_solutions_prev

std::vector<std::string> ChemistryLib::PhreeqcIOData::Dump::aqueous_solutions_prev

Definition at line 56 of file Dump.h.

Referenced by readDumpFile(), and readDumpFromStringForSystem().

◆ dump_file

std::string ChemistryLib::PhreeqcIOData::Dump::dump_file

Definition at line 55 of file Dump.h.

Referenced by Dump(), and print().

The documentation for this struct was generated from the following files: