diff --git a/app/ipqEngine.cpp b/app/ipqEngine.cpp index e222b6d8..e1bef11c 100644 --- a/app/ipqEngine.cpp +++ b/app/ipqEngine.cpp @@ -13,6 +13,7 @@ #include "PhreeqcEngine.hpp" #include "PhreeqcInit.hpp" + static std::string readFile(const std::string &path) { std::string string_rpath(PATH_MAX, '\0'); @@ -57,26 +58,42 @@ template void printVector(const std::vector &vec) { std::cout << std::endl; } + + +static std::string TestInput = R"(SOLUTION 1 + units mol/kgw + temp 25 + Ca 0.1 + Mg 0.1 + Cl 0.5 charge + Na 0.1 + PURE 1 + Calcite 0.0 1 + Dolomite 0.0 0 + ## RUN_CELLS + ## -cells 1 + END)"; + + int main(int argc, char *argv[]) { - if (argc < 3) { - std::cout << "Two args needed, PHREEQC script and database" << std::endl; + if (argc < 2) { + std::cout << "PHREEQC database needed as argument" << std::endl; return 1; } - const std::string &script = argv[1]; - const std::string &database = argv[2]; + const std::string &database = argv[1]; wordexp_t exp_result; - std::cout << "Reading script from file " << script << " using database " - << database << std::endl; + // std::cout << "Reading script from file " << script << " using database " + // << database << std::endl; // expand the script and database path - const std::string read_script = readFile(script); + // const std::string read_script = readFile(script); const std::string read_database = readFile(database); // initialize the module instance "ipqcmod" - PhreeqcInit ipqcmod(read_database, read_script); + PhreeqcInit ipqcmod(read_database, TestInput); // allocate tabular data PhreeqcInit::PhreeqcMat pqc_mat = ipqcmod.getPhreeqcMat(); @@ -87,7 +104,7 @@ int main(int argc, char *argv[]) { POETConfig MyConfig; MyConfig.database = read_database; - MyConfig.input_script = read_script; + MyConfig.input_script = TestInput; MyConfig.cell = POETInitCell{ // H, O and charge need to be removed. I'm not sure why I did it this way. std::vector(totals_names.begin() + 3, totals_names.end()),