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Update .gitignore to selectively track bin files

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This commit is contained in:
rastogi 2025-10-24 16:09:56 +02:00
parent c4d1682b3a
commit 97d40aeba2
4 changed files with 36 additions and 14 deletions
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16
.gitignore vendored
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@ -2,6 +2,22 @@
# Created by https://www.toptal.com/developers/gitignore/api/c,c++,r,cmake
# Edit at https://www.toptal.com/developers/gitignore?templates=c,c++,r,cmake
# Ignore everything in bin/
bin/*
# But keep these specific files
!bin/barite_fgcs_2.pqi
!bin/barite_fgcs_2.qs2
!bin/barite_fgcs_2.R
!bin/dol.pqi
!bin/dolo_fgcs_3.qs2
!bin/dolo_fgcs_3.R
!bin/dolo_fgcs_3.pqi
!bin/phreeqc_kin.dat
!bin/run_poet.sh
### C ###
# Prerequisites
*.d

BIN
share/poet/barite/barite_het.qs2
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BIN
share/poet/surfex/PoetEGU_surfex_500.qs2
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32
src/Control/ControlModule.cpp
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@ -165,6 +165,7 @@ void poet::ControlModule::computeSpeciesErrors(
for (uint32_t j = 0; j < size_per_prop; ++j) {
const double ref_value = reference_values[base_idx + j];
const double sur_value = surrogate_values[base_idx + j];
const double ZERO_ABS = 1e-13;
if (std::isnan(ref_value) || std::isnan(sur_value)) {
nan_count++;
@ -174,18 +175,32 @@ void poet::ControlModule::computeSpeciesErrors(
ref_sum += ref_value;
sur_sum += sur_value;
if (ref_value == 0.0) {
if (sur_value != 0.0) {
if (std::abs(ref_value) < ZERO_ABS) {
if (std::abs(sur_value) >= ZERO_ABS) {
std::cerr << "[CTRL TRACE] species=" << this->species_names[i]
<< " idx=" << i << " base_idx=" << base_idx << " j=" << j
<< " sur_value=" << sur_value << "\n";
err_sum += 1.0;
sqr_err_sum += 1.0;
}
}
// Both zero: skip
} else {
else {
double alpha = 1.0 - (sur_value / ref_value);
err_sum += std::abs(alpha);
sqr_err_sum += alpha * alpha;
}
}
if (valid_count > 0) {
species_error_stats.mape[i] = 100.0 * (err_sum / valid_count);
species_error_stats.rrmse[i] = std::sqrt(sqr_err_sum / valid_count);
} else {
species_error_stats.mape[i] = 0.0;
species_error_stats.rrmse[i] = 0.0;
std::cerr << "[CTRL WARN] no valid samples for species " << i << " ("
<< this->species_names[i] << "), setting errors to 0\n";
}
/*
// sample printing (keeps previous behavior: species 5 and 6)
if (i == 5 || i == 6) {
std::cerr << "[CTRL SAMPLE] species_index=" << i
@ -202,16 +217,7 @@ void poet::ControlModule::computeSpeciesErrors(
std::cerr << surrogate_values[base_idx + j]
<< (j + 1 == N ? "\n" : " ");
}
if (valid_count > 0) {
species_error_stats.mape[i] = 100.0 * (err_sum / valid_count);
species_error_stats.rrmse[i] = std::sqrt(sqr_err_sum / valid_count);
} else {
species_error_stats.mape[i] = 0.0;
species_error_stats.rrmse[i] = 0.0;
std::cerr << "[CTRL WARN] no valid samples for species " << i << " ("
<< this->species_names[i] << "), setting errors to 0\n";
}
*/
// DEBUG: detailed diagnostics for Ba/Cl (or whichever indices)
if (this->species_names[i] == "Ba" || this->species_names[i] == "Cl") {