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fix: remove mass balance check

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This commit is contained in:
Max Luebke 2023-08-01 23:19:16 +02:00
parent 6d94141c98
commit 4f9e66253f
1 changed files with 1 additions and 46 deletions
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47
src/ChemistryModule/SurrogateModels/InterpolationModule.cpp
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@ -1,4 +1,4 @@
// Time-stamp: "Last modified 2023-08-01 17:54:53 mluebke" // Time-stamp: "Last modified 2023-08-01 23:18:45 mluebke"
#include "poet/DHT_Wrapper.hpp" #include "poet/DHT_Wrapper.hpp"
#include "poet/HashFunctions.hpp" #include "poet/HashFunctions.hpp"
@ -115,55 +115,10 @@ void InterpolationModule::tryInterpolation(
// } // }
// mean_water /= pht_result.size; // mean_water /= pht_result.size;
auto calcMassBalance = [](const std::vector<double> &input) {
double C, Ca, Mg;
C = input[3] + input[7] + 2 * input[9];
Ca = input[4] + input[7] + input[9];
Mg = input[6] + input[9];
return std::array<double, 3>{C, Ca, Mg};
};
auto mass_in = calcMassBalance(dht_results.results[i]);
const auto DHT_inputElements = dht_instance.getKeyElements();
// HACK: transform input elements to uint, as there shall no any user
// defined key species present yet
// std::vector<std::uint32_t> interp_inputElements;
// std::transform(DHT_inputElements.begin(), DHT_inputElements.end(),
// interp_inputElements.begin(), [](std::int32_t x) {
// if (x < 0) {
// x = 0;
// }
// return x;
// });
interp_result.results[i] = interp_result.results[i] =
f_interpolate(dht_instance.getKeyElements(), dht_results.results[i], f_interpolate(dht_instance.getKeyElements(), dht_results.results[i],
pht_result.in_values, pht_result.out_values); pht_result.in_values, pht_result.out_values);
auto mass_out = calcMassBalance(interp_result.results[i]);
double diff[3];
std::transform(mass_in.begin(), mass_in.end(), mass_out.begin(), diff,
std::minus<>());
bool exceeding = false;
for (const auto comp : diff) {
if (std::abs(comp) > 1e-10) {
exceeding = true;
break;
}
}
if (exceeding) {
interp_result.status[i] = INSUFFICIENT_DATA;
continue;
}
if (interp_result.results[i][7] < 0 || interp_result.results[i][9] < 0) { if (interp_result.results[i][7] < 0 || interp_result.results[i][9] < 0) {
interp_result.status[i] = INSUFFICIENT_DATA; interp_result.status[i] = INSUFFICIENT_DATA;
continue; continue;