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specmicp.cpp
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specmicp.cpp
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/* =============================================================================
Copyright (c) 2014 - 2016
F. Georget <fabieng@princeton.edu> Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its
contributors may be used to endorse or promote products derived from this
software without specific prior written permission.
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. *
============================================================================= */
#include "specmicp_common/io/config_yaml_sections.h"
#include "specmicp_common/io/safe_config.hpp"
#include "specmicp_database/database.hpp"
#include "specmicp_database/io/configuration.hpp"
#include "specmicp_common/physics/io/configuration.hpp"
#include "specmicp/problem_solver/reactant_box.hpp"
#include "specmicp/problem_solver/smart_solver.hpp"
#include "specmicp/adimensional/adimensional_system_solver.hpp"
#include "specmicp/adimensional/adimensional_system_solution.hpp"
#include "specmicp/adimensional/adimensional_system_solver_structs.hpp"
#include "specmicp/adimensional/adimensional_system_structs.hpp"
#include "specmicp/io/configuration.hpp"
#include "specmicp/io/print.hpp"
#include "specmicp_common/log.hpp"
#include "specmicp_common/io/configuration.hpp"
#include "specmicp/io/adimensional_system_solution_saver.hpp"
#include <iostream>
#define SECTION_MAIN "__main__"
#define SECTION_SPECIATION "speciation"
#define SECTION_FORMULATION "formulation"
#define SECTION_CONSTRAINTS "constraints"
#define ATTRIBUTE_NAME "name"
#define ATTRIBUTE_OUTPUT "output"
#define ATTRIBUTE_OUTPUT_DB "output_db"
namespace specmicp
{
void check_db(const std::string& filepath);
void run_specmicp(io::YAMLConfigHandle& configuration);
void run_formulation(
io::YAMLConfigHandle&& conf_formulation,
const RawDatabasePtr& the_database,
const AdimensionalSystemSolverOptions& the_options
);
}
const static char* header = "SpecMiCP: Speciation solver based on the complementarity condition\n"
"(c) Copyright 2014-2016 fabien Georget <fabieng@princeton.edu> \n";
const static char* description = R"plop(
Usage:
specmicp <configuration_file>
specmicp -C/--check-db <database>
Options :
<configuration_file> the configuration file
-c <database>, --check-db <database> check that the database can be parsed without error
-h, --help produce this help
)plop";
const static char* error_print_help = "Use -h to print help";
int main( int argc, const char* argv[])
{
specmicp::init_logger(&std::cerr, specmicp::logger::Warning);
if (argc < 2)
{
std::cerr << "Error: expecting one argument. ";
std::cerr << error_print_help << std::endl;
return EXIT_FAILURE;
}
std::cout << header << std::endl;
const std::string first_arg = argv[1];
if (first_arg[0] == '-')
{
if (first_arg == "-h" or first_arg == "--help") {
std::cout << description << std::endl;
return EXIT_SUCCESS;
}
else if (first_arg == "-C" or first_arg == "--check-db") {
if (argc < 3)
{
std::cerr << "Error : " << first_arg << " option requires an extra argument" << std::endl;
return EXIT_FAILURE;
}
else
{
specmicp::check_db(argv[2]);
return EXIT_SUCCESS;
}
}
}
const std::string conf_file = first_arg;
auto conf = specmicp::io::YAMLConfigFile::load(conf_file);
std::unique_ptr<std::ostream> out_log;
std::unique_ptr<std::ostream> conf_log;
if (conf.has_section(SPC_CF_S_LOGS))
{
// FIXME
out_log = specmicp::io::configure_log(conf.get_section(SPC_CF_S_LOGS), nullptr);
}
if (conf.has_section(SPC_CF_S_CONF_LOGS))
{
// FIXME
conf_log = specmicp::io::configure_conf_log(conf.get_section(SPC_CF_S_CONF_LOGS), nullptr);
}
specmicp::run_specmicp(conf);
return EXIT_SUCCESS;
}
namespace specmicp {
RawDatabasePtr get_db(io::YAMLConfigHandle& configuration)
{
return io::configure_database(configuration.get_section(SPC_CF_S_DATABASE));
}
units::UnitsSet get_units(io::YAMLConfigHandle& configuration)
{
return io::configure_units(configuration.get_section(SPC_CF_S_UNITS));
}
void run_specmicp(io::YAMLConfigHandle& configuration)
{
RawDatabasePtr the_database = get_db(configuration);
units::UnitsSet the_units = get_units(configuration);
AdimensionalSystemSolverOptions the_options;
io::configure_specmicp_options(the_options, the_units,
configuration.get_section(SPC_CF_S_SPECMICP));
if (not configuration.has_section(SECTION_SPECIATION))
{
configuration.report_error(io::YAMLConfigError::MissingRequiredSection,
"No system to solve !");
}
auto conf_formulation = configuration.get_section(SECTION_SPECIATION);
if (conf_formulation.is_sequence())
{
uindex_t size = conf_formulation.size();
for (uindex_t ind=0; ind<size; ++ind)
{
run_formulation(
conf_formulation.get_section(ind),
the_database, the_options
);
}
}
else
{
run_formulation(std::move(conf_formulation), the_database, the_options);
}
}
void run_formulation(
io::YAMLConfigHandle&& conf,
const RawDatabasePtr& the_database,
const AdimensionalSystemSolverOptions& the_options
)
{
auto name = conf.get_required_attribute<std::string>(ATTRIBUTE_NAME);
std::string save_db = "";
if (conf.has_attribute(ATTRIBUTE_OUTPUT_DB))
{
save_db = conf.get_attribute<std::string>(ATTRIBUTE_OUTPUT_DB);
}
std::string save_solution = "";
if (conf.has_attribute(ATTRIBUTE_OUTPUT))
{
save_solution = conf.get_attribute<std::string>(ATTRIBUTE_OUTPUT);
}
else
{
WARNING << "No output file set, the solution will be lost in the void.";
}
auto rbox = io::configure_specmicp_reactant_box(
the_database, the_options.units_set,
std::move(conf)
);
auto constraints = rbox.get_constraints(true);
if (not save_db.empty())
{
database::Database(the_database).save(save_db);
}
SmartAdimSolver solver(the_database, constraints, the_options);
// initialization
if (conf.has_section(SPC_CF_S_INITIALIZATION))
{
io::configure_smart_solver_initialization(
solver,
conf.get_section(SPC_CF_S_INITIALIZATION)
);
}
// solve the problen
auto is_solved = solver.solve();
if (not is_solved) {
CRITICAL << "Failed to solve formulation : " << name << ".";
return;
}
if (not save_solution.empty())
{
io::save_solution_yaml(save_solution, the_database,
solver.get_solution(), save_db);
}
}
void check_db(const std::string& filepath)
{
std::cout << "Checking database : " << filepath << "\n ------ \n";
database::Database the_database(filepath);
if (not the_database.is_valid())
{
throw std::invalid_argument("The database is not valid !");
}
std::cout << "Database is valid !" << std::endl;
}
} //end namespace specmicp

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