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specmicp/src/utils/io/saturated_react.hpp
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saturated_react.hpp
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#ifndef SPECMICP_IO_SATURATEDREACT_HPP
#define SPECMICP_IO_SATURATEDREACT_HPP
#include <iostream>
#include <fstream>
#include "utils/io/units.hpp"
//#include "reactmicp/systems/saturated_react/variablesfwd.hpp"
#include "reactmicp/systems/saturated_react/variables.hpp"
#include <chrono>
#include <ctime>
using namespace specmicp::reactmicp::systems::satdiff;
namespace specmicp {
namespace io {
static constexpr char field_sep = '\t';
static constexpr char comment = '#';
void print_csv_header(std::ostream* ofile)
{
std::time_t time = std::chrono::system_clock::to_time_t(std::chrono::system_clock::now());
(*ofile) << comment << " - ReactMiCP - " << std::ctime(&time);
}
void print_components_total_aqueous_concentration(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
const units::UnitsSet& units_set,
std::ostream* ofile
)
{
print_csv_header(ofile);
(*ofile) << comment << "units : mol/" << io::volume_unit_to_string(units_set.length) << std::endl;
(*ofile) << "Position";
for (index_t component: the_database->range_aqueous_component())
{
(*ofile) << field_sep << the_database->get_label_component(component);
}
(*ofile) << std::endl;
for (index_t node: the_mesh->range_nodes())
{
(*ofile) << the_mesh->get_position(node);
for (index_t component: the_database->range_aqueous_component())
{
(*ofile) << field_sep << variables->aqueous_concentration(node, component);
}
(*ofile) << std::endl;
}
}
void print_components_total_aqueous_concentration(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
const units::UnitsSet& units_set,
const std::string& filepath
)
{
std::ofstream ofile(filepath);
print_components_total_aqueous_concentration(the_database, variables, the_mesh, units_set, &ofile);
ofile.close();
}
void print_components_total_solid_concentration(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
const units::UnitsSet& units_set,
std::ostream* ofile
)
{
print_csv_header(ofile);
(*ofile) << comment << "units : mol/" << io::volume_unit_to_string(units_set.length) << std::endl;
(*ofile) << "Position";
for (index_t component: the_database->range_aqueous_component())
{
(*ofile) << field_sep << the_database->get_label_component(component);
}
(*ofile) << std::endl;
for (index_t node: the_mesh->range_nodes())
{
(*ofile) << the_mesh->get_position(node);
for (index_t component: the_database->range_aqueous_component())
{
(*ofile) << field_sep << variables->solid_concentration(node, component);
}
(*ofile) << std::endl;
}
}
void print_components_total_solid_concentration(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
const units::UnitsSet& units_set,
const std::string& filepath
)
{
std::ofstream ofile(filepath);
print_components_total_solid_concentration(the_database, variables, the_mesh, units_set, &ofile);
ofile.close();
}
void print_minerals_profile(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
std::ostream* ofile
)
{
print_csv_header(ofile);
(*ofile) << "Position";
for (index_t mineral: the_database->range_mineral())
{
(*ofile) << field_sep << the_database->get_label_mineral(mineral);
}
(*ofile) << field_sep << "Porosity";
(*ofile) << field_sep << "pH";
(*ofile) << std::endl;
for (index_t node: the_mesh->range_nodes())
{
(*ofile) << the_mesh->get_position(node);
AdimensionalSystemSolutionExtractor extractor(variables->equilibrium_solution(node), the_database, units::UnitsSet());
for (index_t mineral: the_database->range_mineral())
{
(*ofile) << field_sep << extractor.volume_fraction_mineral(mineral);
}
(*ofile) << field_sep << variables->porosity(node);
(*ofile) << field_sep << extractor.pH();
(*ofile) << std::endl;
}
}
void print_minerals_profile(
RawDatabasePtr the_database,
SaturatedVariablesPtr variables,
mesh::Mesh1DPtr the_mesh,
const std::string& filepath
)
{
std::ofstream ofile(filepath);
print_minerals_profile(
the_database,
variables,
the_mesh,
&ofile
);
ofile.close();
}
} // end namespace io
} // end namespace specmicp
#endif // SPECMICP_IO_SATURATEDREACT_HPP
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