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This commit is contained in:
Marco De Lucia 2025-06-11 15:36:10 +02:00
parent 6e727e2f89
commit ce3e5c2b2b
1 changed files with 80 additions and 47 deletions
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127
poet/test/testGolemRunner.cpp
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@ -1,4 +1,4 @@
// Time-stamp: "Last modified 2024-12-02 17:37:08 delucia"
// Time-stamp: "Last modified 2025-06-11 15:30:00 delucia"
#include <iostream>
#include <iomanip>
#include <linux/limits.h>
@ -49,7 +49,7 @@ std::ostream & operator<<(std::ostream & os, std::vector<T> vec)
int main(int argc, char *argv[]) {
if (argc < 3) {
std::cout << "::" << argv[0] << ": two args needed, script and database\n";
std::cout << "mm ::" << argv[0] << ": two args needed, script and database\n";
return 1;
}
@ -60,8 +60,7 @@ int main(int argc, char *argv[]) {
auto db = readFile(argv[2]);
// Create the matrix directly from database and init script
PhreeqcMatrix pqc_mat(db, script);
PhreeqcMatrix pqc_mat(db, script, false, false);
// How many different SOLUTIONS ("CELLS") are defined in the script?
const auto ids = pqc_mat.getIds();
@ -98,60 +97,94 @@ int main(int argc, char *argv[]) {
// Get the values as reference to modify them in place
std::vector<double> &cell_values = exported_mat.values;
std::cout << ":: Values in the PhreeqcMatrix: \n";
// std::cout << exported_mat.names << "\n";
// std::cout << cell_values << "\n";
// END INIT
//// Phreeqc RUN through the new Runner class
// optional SUBSET the matrix (i.e., the unique ids defined in
// golem map as input)
// const auto subsetted_pqc_mat = pqc_mat.subset({1, 2});
PhreeqcRunner runner(pqc_mat);
//
const auto stl_mat = pqc_mat.get();
const auto matrix_values = stl_mat.values;
const auto num_columns = stl_mat.names.size();
const auto spec_names = stl_mat.names;
const auto subsetted_pqc_mat1 = pqc_mat.subset({1});
const auto subsetted_pqc_mat2 = pqc_mat.subset({2});
// container to pass in/out
std::vector<std::vector<double>> simulationInOut;
const auto stl_mat1 = subsetted_pqc_mat1.get();
const auto stl_mat2 = subsetted_pqc_mat2.get();
const auto matrix_values1 = stl_mat1.values;
const auto num_columns1 = stl_mat1.names.size();
const auto spec_names1 = stl_mat1.names;
// grid cells
const std::size_t num_cells = 10;
const std::size_t half_cells = 5;
const auto matrix_values2 = stl_mat2.values;
const auto num_columns2 = stl_mat2.names.size();
const auto spec_names2 = stl_mat2.names;
// copy the values to the InOut vector. We replicate cell 1
for (std::size_t index = 0; index < num_cells; ++index) {
if (index < half_cells) {
simulationInOut.push_back(std::vector<double>(
matrix_values.begin(), matrix_values.begin() + num_columns));
} else {
simulationInOut.push_back(std::vector<double>(
matrix_values.begin() + num_columns, matrix_values.end()));
}
std::cout << "Subset 1: \n";
for (std::size_t i = 0; i < num_columns1; ++i) {
std::cout << i << ") " << spec_names1[i] << ", ";
}
const double timestep = 100.;
// compute 1 timestep
runner.run(simulationInOut, timestep);
for (std::size_t cell_index = 0; cell_index < simulationInOut.size(); ++cell_index) {
const bool is_first_half = cell_index < half_cells;
if (is_first_half) {
std::cout << "Grid element: " << cell_index << " \n";
for (std::size_t spec = 0; spec < num_columns; ++spec) {
std::cout << ":" << spec_names[spec] << "=" << simulationInOut[cell_index][spec];
}
std::cout << "\n";
}
std::cout << "\n";
std::cout << "Subset 2: \n";
for (std::size_t i = 0; i < num_columns2; ++i) {
std::cout << i << ") " << spec_names2[i] << ", ";
}
std::cout << "\n";
// // container to pass in/out
// std::vector<std::vector<double>> simulationInOut;
// // // grid cells
// // const std::size_t num_cells = 10;
// // const std::size_t half_cells = 5;
// // // copy the values to the InOut vector. We replicate cell 1
// // for (std::size_t index = 0; index < num_cells; ++index) {
// // if (index < half_cells) {
// // simulationInOut.push_back(std::vector<double>(
// // matrix_values.begin(), matrix_values.begin() + num_columns));
// // } else {
// // simulationInOut.push_back(std::vector<double>(
// // matrix_values.begin() + num_columns, matrix_values.end()));
// // }
// // }
// // copy the values from the matrix to the InOut vector
// for (std::size_t index = 0; index < 2; ++index) {
// simulationInOut.push_back(std::vector<double>(
// matrix_values.begin()+ num_columns*index, matrix_values.begin() + num_columns*(index +1)));
// }
// std::cout << "\n:: Values in the PhreeqcMatrix after initialisation: \n\n";
// // output the values from the matrix
// for (std::size_t cell_index = 0; cell_index < simulationInOut.size(); ++cell_index) {
// std::cout << "Grid element: " << cell_index << " \n";
// for (std::size_t spec = 0; spec < num_columns; ++spec) {
// std::cout << spec_names[spec] << "=" << simulationInOut[cell_index][spec] << ", ";
// }
// std::cout << " \n";
// }
// // now we compute 1 timestep
// const double timestep = 1000.;
// // create the runner
// PhreeqcRunner runner(subsetted_pqc_mat);
// // run
// runner.run(simulationInOut, timestep);
// // output the values returned after simulation
// std::cout << "\n:: Values in InOut after one time step: \n\n";
// for (std::size_t cell_index = 0; cell_index < simulationInOut.size(); ++cell_index) {
// std::cout << "Grid element: " << cell_index << " \n";
// for (std::size_t spec = 0; spec < num_columns; ++spec) {
// std::cout << spec_names[spec] << "=" << simulationInOut[cell_index][spec] << ", ";
// }
// std::cout << " \n";
// }
return 0;
}