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fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero

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Max Lübke 2024-12-20 07:33:00 +01:00
parent 6ab404eefd
commit 5664153cf9
1 changed files with 3 additions and 56 deletions
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59
src/Chemistry/ChemistryModule.cpp
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@ -66,7 +66,8 @@ inverseDistanceWeighting(const std::vector<std::int32_t> &to_calc,
distance += std::pow(
rescaled[key_comp_i][point_i] - rescaled[key_comp_i][data_set_n], 2);
}
weights[point_i] = 1 / std::sqrt(distance);
weights[point_i] = distance != 0 ? 1 / std::sqrt(distance) : 0;
assert(!std::isnan(weights[point_i]));
inv_sum += weights[point_i];
}
@ -97,63 +98,9 @@ inverseDistanceWeighting(const std::vector<std::int32_t> &to_calc,
key_delta /= inv_sum;
results[output_comp_i] = from[output_comp_i] + key_delta;
assert(!std::isnan(results[output_comp_i]));
}
// if (!has_h) {
// double new_val = 0;
// for (int j = 0; j < data_set_n; j++) {
// new_val += weights[j] * output[j][0];
// }
// results[0] = new_val / inv_sum;
// }
// if (!has_h) {
// double new_val = 0;
// for (int j = 0; j < data_set_n; j++) {
// new_val += weights[j] * output[j][1];
// }
// results[1] = new_val / inv_sum;
// }
// for (std::uint32_t i = 0; i < to_calc.size(); i++) {
// const std::uint32_t interp_i = to_calc[i];
// // rescale input between 0 and 1
// for (int j = 0; j < input.size(); j++) {
// buffer[j] = input[j].at(i);
// }
// buffer[buffer_size - 1] = from[interp_i];
// const double min = *std::min_element(buffer, buffer + buffer_size);
// const double max = *std::max_element(buffer, buffer + buffer_size);
// for (int j = 0; j < input.size(); j++) {
// buffer[j] = ((max - min) != 0 ? (buffer[j] - min) / (max - min) : 1);
// }
// from_rescaled =
// ((max - min) != 0 ? (from[interp_i] - min) / (max - min) : 0);
// double inv_sum = 0;
// // calculate distances for each point
// for (int i = 0; i < input.size(); i++) {
// const double distance = std::pow(buffer[i] - from_rescaled, 2);
// buffer[i] = distance > 0 ? (1 / std::sqrt(distance)) : 0;
// inv_sum += buffer[i];
// }
// // calculate new values
// double new_val = 0;
// for (int i = 0; i < output.size(); i++) {
// new_val += buffer[i] * output[i][interp_i];
// }
// results[interp_i] = new_val / inv_sum;
// if (std::isnan(results[interp_i])) {
// std::cout << "nan with new_val = " << output[0][i] << std::endl;
// }
// }
return results;
}