Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F70084844
adimensional_system_pcfm.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Jul 5, 05:05
Size
2 KB
Mime Type
text/x-c
Expires
Sun, Jul 7, 05:05 (2 d)
Engine
blob
Format
Raw Data
Handle
18788422
Attached To
rSPECMICP SpecMiCP / ReactMiCP
adimensional_system_pcfm.cpp
View Options
#include "catch.hpp"
#include "specmicp/adimensional/adimensional_system.hpp"
#include "specmicp/adimensional/adimensional_system_pcfm.hpp"
#include "specmicp/adimensional/adimensional_system_solver.hpp"
#include "database/database.hpp"
specmicp::RawDatabasePtr get_pcfm_test_database()
{
specmicp::database::Database thedatabase("../data/cemdata_specmicp.js");
std::map<std::string, std::string> swapping ({
{"H[+]","HO[-]"},
});
thedatabase.swap_components(swapping);
std::vector<std::string> to_keep = {"H2O", "HO[-]", "Ca[2+]"};
thedatabase.keep_only_components(to_keep);
thedatabase.remove_solid_phases();
return thedatabase.get_database();
}
// Test the Positive continuous fraction method
TEST_CASE("Positive continuous fraction method", "[specmicp, MiCP, program, adimensional, PCFM]") {
specmicp::RawDatabasePtr the_database = get_pcfm_test_database();
auto id_h2o = the_database->water_index();
auto id_oh = the_database->get_id_component("HO[-]");
auto id_ca = the_database->get_id_component("Ca[2+]");
SECTION("PCFM") {
specmicp::Vector total_concentration = specmicp::Vector::Zero(the_database->nb_component());
total_concentration(id_h2o) = 55.5;
total_concentration(id_oh) = 2e-3;
total_concentration(id_ca) = 1e-3;
specmicp::AdimensionalSystemConstraints constraints(total_concentration);
constraints.disable_conservation_water();
constraints.enable_surface_model(1.23456);
//constraints.total_concentrations(2) = 0;
std::shared_ptr<specmicp::AdimensionalSystem> ptrsystem =
std::make_shared<specmicp::AdimensionalSystem>(the_database, constraints);
specmicp::AdimensionalSystemSolver solver(the_database, constraints);
specmicp::AdimensionalSystemPCFM pcfm_solver(ptrsystem);
specmicp::Vector x;
solver.initialise_variables(x, 1.0, -3.0, 0.0);
specmicp::PCFMReturnCode retcode = pcfm_solver.solve(x);
REQUIRE(retcode == specmicp::PCFMReturnCode::Success);
}
}
Event Timeline
Log In to Comment