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ScaleAndMerge: Minor fixes

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This commit is contained in:
leonarski_f
2026-02-28 13:06:23 +01:00
parent b179ac0d81
commit 9bb91ee849
1 changed files with 13 additions and 8 deletions
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21
image_analysis/scale_merge/ScaleAndMerge.cpp
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@@ -158,7 +158,7 @@ namespace {
: Iobs_(static_cast<double>(r.I)),
weight_(SafeInv(sigma_obs, 1.0)),
lp_(SafeInv(r.rlp, 1.0)),
dist_ewald_sq_(r.dist_ewald) {
dist_ewald_sq_(r.dist_ewald * r.dist_ewald) {
}
template<typename T>
@@ -246,6 +246,7 @@ namespace {
void scale(const ScaleMergeOptions &opt,
std::vector<double> &g,
std::vector<double> &mosaicity,
std::vector<double> &R_sq,
const std::vector<uint8_t> &image_slot_used,
bool rotation_crystallography,
size_t nhkl,
@@ -293,7 +294,7 @@ namespace {
problem.AddResidualBlock(cost,
nullptr,
&g[o.img_id],
&mosaicity[o.img_id],
&R_sq[o.img_id],
&Itrue[o.hkl_slot]);
}
case ScaleMergeOptions::PartialityModel::Unity: {
@@ -350,10 +351,10 @@ namespace {
}
if (opt.partiality_model == ScaleMergeOptions::PartialityModel::Still) {
for (int i = 0; i < mosaicity.size(); ++i) {
for (int i = 0; i < R_sq.size(); ++i) {
if (image_slot_used[i]) {
problem.SetParameterLowerBound(&mosaicity[i], 0, 1e-9);
problem.SetParameterUpperBound(&mosaicity[i], 0, 1.0);
problem.SetParameterLowerBound(&R_sq[i], 0, 1e-9);
problem.SetParameterUpperBound(&R_sq[i], 0, 1.0);
}
}
}
@@ -590,6 +591,7 @@ namespace {
void calc_obs(const ScaleMergeOptions &opt,
std::vector<double> &g,
std::vector<double> &mosaicity,
std::vector<double> &R_sq,
const std::vector<ObsRef> &obs,
std::vector<CorrectedObs> &corr_obs) {
@@ -616,7 +618,7 @@ namespace {
}
break;
case ScaleMergeOptions::PartialityModel::Still:
partiality = std::exp(-r.dist_ewald * r.dist_ewald / mosaicity[o.img_id]);
partiality = std::exp(-r.dist_ewald * r.dist_ewald / R_sq[o.img_id]);
break;
case ScaleMergeOptions::PartialityModel::Unity:
break;
@@ -721,16 +723,19 @@ ScaleMergeResult ScaleAndMergeReflectionsCeres(const std::vector<std::vector<Ref
std::vector<double> g(n_image_slots, 1.0);
std::vector<double> mosaicity(n_image_slots, opt.mosaicity_init_deg);
std::vector<double> R_sq(n_image_slots, 0.001 * 0.001);
for (int i = 0; i < n_image_slots; i++) {
if (!image_slot_used[i]) {
mosaicity[i] = NAN;
g[i] = NAN;
R_sq[i] = NAN;
} else if (opt.mosaicity_init_deg_vec.size() > i && std::isfinite(opt.mosaicity_init_deg_vec[i])) {
mosaicity[i] = opt.mosaicity_init_deg_vec[i];
}
}
scale(opt, g, mosaicity, image_slot_used, rotation_crystallography, nhkl, obs);
scale(opt, g, mosaicity, R_sq, image_slot_used, rotation_crystallography, nhkl, obs);
ScaleMergeResult out;
@@ -775,7 +780,7 @@ ScaleMergeResult ScaleAndMergeReflectionsCeres(const std::vector<std::vector<Ref
}
}
calc_obs(opt, g, mosaicity, obs, corr_obs);
calc_obs(opt, g, mosaicity, R_sq, obs, corr_obs);
merge(nhkl, out, corr_obs);
stats(opt, nhkl, out, corr_obs);