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Merged
riclarsson merged 1 commit into from
Mar 9, 2026
Merged

Use standard sort via zip instead of custom sort for multiple items #1106

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57 changes: 25 additions & 32 deletions src/core/lbl/lbl_lineshape_voigt_ecs.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,7 @@
#include <algorithm>
#include <cmath>
#include <exception>
#include <functional>
#include <ranges>
#include <stdexcept>

Expand Down Expand Up @@ -176,7 +177,7 @@ void ComputeData::adapt_multi(const QuantumIdentifier& bnd_qid,
for (Size i = 0; i < n; i++) {
const auto& line = bnd.lines[i];
pop[i] = line.gu * exp(-line.e0 / (Constant::k * T)) / QT;
dip[i] = 0.5 * Constant::c *
dip[i] = 0.5 * Constant::c *
std::sqrt(line.a / (Math::pow3(line.f0) * Constant::two_pi));

if (bnd.lineshape == LineByLineLineshape::VP_ECS_MAKAROV) {
Expand All @@ -190,10 +191,10 @@ void ComputeData::adapt_multi(const QuantumIdentifier& bnd_qid,
dipr[i] = hartmann::reduced_dipole(J.upper, J.lower, l2.upper, l2.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
} else if (bnd.lineshape == LineByLineLineshape::VP_ECS_STOTOP) {
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
auto& Kq = bnd.lines[i].qn.at(QuantumNumberType::K);
dipr[i] = stotop::reduced_dipole(J.upper, J.lower, Kq.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
auto& Kq = bnd.lines[i].qn.at(QuantumNumberType::K);
dipr[i] = stotop::reduced_dipole(J.upper, J.lower, Kq.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
} else if (bnd.lineshape == LineByLineLineshape::VP_ECS_SPHTOP) {
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
dipr[i] = sphtop::reduced_dipole(J.upper, J.lower);
Expand All @@ -203,17 +204,13 @@ void ComputeData::adapt_multi(const QuantumIdentifier& bnd_qid,

//! Must remember the sorting for the quantum numbers
if (not presorted) {
std::iota(sort.begin(), sort.end(), 0);
bubble_sort_by(
[&](Size i, Size j) {
const auto a = bnd.lines[sort[i]].f0 * pop[i] * dip[i] * dip[i];
const auto b = bnd.lines[sort[j]].f0 * pop[j] * dip[j] * dip[j];
return b > a;
},
sort,
pop,
dip,
dipr);
stdr::iota(sort, 0);
stdr::sort(
stdv::zip(sort, pop, dip, dipr), stdr::greater(), [&](const auto& v) {
const auto& [i, pop_i, dip_i, dipr_i] = v;
const auto a = bnd.lines[i].f0 * pop_i * dip_i * dip_i;
return a;
});
} else {
const auto presorter = [this](const auto& vec) {
auto out = vec;
Expand Down Expand Up @@ -318,7 +315,7 @@ void ComputeData::adapt_single(const QuantumIdentifier& bnd_qid,
for (Size i = 0; i < n; i++) {
const auto& line = bnd.lines[i];
pop[i] = line.gu * exp(-line.e0 / (Constant::k * T)) / QT;
dip[i] = 0.5 * Constant::c *
dip[i] = 0.5 * Constant::c *
std::sqrt(line.a / (Math::pow3(line.f0) * Constant::two_pi));

if (bnd.lineshape == LineByLineLineshape::VP_ECS_MAKAROV) {
Expand All @@ -332,10 +329,10 @@ void ComputeData::adapt_single(const QuantumIdentifier& bnd_qid,
dipr[i] = hartmann::reduced_dipole(J.upper, J.lower, l2.upper, l2.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
} else if (bnd.lineshape == LineByLineLineshape::VP_ECS_STOTOP) {
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
auto& Kq = bnd.lines[i].qn.at(QuantumNumberType::K);
dipr[i] = stotop::reduced_dipole(J.upper, J.lower, Kq.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
auto& Kq = bnd.lines[i].qn.at(QuantumNumberType::K);
dipr[i] = stotop::reduced_dipole(J.upper, J.lower, Kq.lower);
dip[i] *= std::signbit(dipr[i]) ? -1 : 1;
} else if (bnd.lineshape == LineByLineLineshape::VP_ECS_SPHTOP) {
auto& J = bnd.lines[i].qn.at(QuantumNumberType::J);
dipr[i] = sphtop::reduced_dipole(J.upper, J.lower);
Expand All @@ -345,17 +342,13 @@ void ComputeData::adapt_single(const QuantumIdentifier& bnd_qid,

//! Must remember the sorting for the quantum numbers
if (not presorted) {
std::iota(sort.begin(), sort.end(), 0);
bubble_sort_by(
[&](Size i, Size j) {
const auto a = bnd.lines[sort[i]].f0 * pop[i] * dip[i] * dip[i];
const auto b = bnd.lines[sort[j]].f0 * pop[j] * dip[j] * dip[j];
return b > a;
},
sort,
pop,
dip,
dipr);
stdr::iota(sort, 0);
stdr::sort(
stdv::zip(sort, pop, dip, dipr), stdr::greater(), [&](const auto& v) {
const auto& [i, pop_i, dip_i, dipr_i] = v;
const auto a = bnd.lines[i].f0 * pop_i * dip_i * dip_i;
return a;
});
} else {
const auto presorter = [this](const auto& vec) {
auto out = vec;
Expand Down
7 changes: 3 additions & 4 deletions src/core/lbl/lbl_lineshape_voigt_lte.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -420,10 +420,9 @@ void band_shape_helper(std::vector<single_shape>& lines,
} break;
}

bubble_sort_by(
[&](const Size l1, const Size l2) { return lines[l1].f0 > lines[l2].f0; },
lines,
pos);
stdr::sort(stdv::zip(lines, pos), {}, [](const auto& x) {
return std::get<0>(x).f0;
});
}

band_shape::band_shape(std::vector<single_shape>&& ls, const Numeric cut)
Expand Down
8 changes: 4 additions & 4 deletions src/core/lbl/lbl_lineshape_voigt_lte_mirrored.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@
#include <sorting.h>

#include <Faddeeva.hh>
#include <algorithm>
#include <cmath>
#include <numeric>

Expand Down Expand Up @@ -421,10 +422,9 @@ void band_shape_helper(std::vector<single_shape>& lines,
} break;
}

bubble_sort_by(
[&](const Size l1, const Size l2) { return lines[l1].f0 > lines[l2].f0; },
lines,
pos);
stdr::sort(stdv::zip(lines, pos), {}, [](const auto& x) {
return std::get<0>(x).f0;
});
}

band_shape::band_shape(std::vector<single_shape>&& ls, const Numeric cut)
Expand Down
7 changes: 3 additions & 4 deletions src/core/lbl/lbl_lineshape_voigt_nlte.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -341,10 +341,9 @@ void band_shape_helper(std::vector<single_shape>& lines,
} break;
}

bubble_sort_by(
[&](const Size l1, const Size l2) { return lines[l1].f0 > lines[l2].f0; },
lines,
pos);
stdr::sort(stdv::zip(lines, pos), {}, [](const auto& x) {
return std::get<0>(x).f0;
});
}

band_shape::band_shape(std::vector<single_shape>&& ls, const Numeric cut)
Expand Down
29 changes: 0 additions & 29 deletions src/core/util/sorting.h
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Original file line number Diff line number Diff line change
Expand Up @@ -42,33 +42,4 @@ void get_sorted_indexes(ArrayOfIndex& sorted, const T& data) {
});
}

template <typename T>
concept bubble_sorting_function = requires(T a) {
{ a(Size{}, Size{}) } -> std::same_as<bool>;
};

template <typename T>
concept bubble_sortable = requires(T& a) {
std::swap(a[Size{}], a[Size{}]);
{ a.size() } -> std::convertible_to<Size>;
};

template <bubble_sorting_function SortFn,
bubble_sortable T,
bubble_sortable... Ts>
void bubble_sort_by(const SortFn& sort_fn,
T& data_0,
Ts&... data_n) {
const Size n = static_cast<Size>(data_0.size());
assert((... and (n == static_cast<Size>(data_n.size()))));
for (Size i = 0; i < n; i++) {
for (Size j = i + 1; j < n; j++) {
if (sort_fn(i, j)) {
std::swap(data_0[i], data_0[j]);
(std::swap(data_n[i], data_n[j]), ...);
}
}
}
}

#endif /* sorting_h */
7 changes: 3 additions & 4 deletions src/m_lbl.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -439,10 +439,9 @@ void abs_bandsLineMixingAdaptation(AbsorptionBands& abs_bands,

for (Size i = 0; i < M; i++) {
for (Size j = 0; j < K; j++) {
auto s = eqv_str[i, j, joker];
auto v = eqv_val[i, j, joker];
bubble_sort_by(
[&](auto I1, auto I2) { return v[I1].real() > v[I2].real(); }, s, v);
stdr::sort(stdv::zip(eqv_val[i, j], eqv_str[i, j]),
{},
[](const auto& x) { return std::get<0>(x).real(); });
}
}

Expand Down
32 changes: 15 additions & 17 deletions src/python_interface/py_disort.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@

#include <concepts>
#include <optional>
#include <ranges>

#include "configtypes.h"
#include "debug.h"
Expand Down Expand Up @@ -75,8 +76,8 @@ void py_disort(py::module_& m) try {
py::class_<MatrixOfDisortBDRF> mat_disbdrf(m, "MatrixOfDisortBDRF");
generic_interface(mat_disbdrf);

auto vecs = py::bind_vector<std::vector<DisortBDRF>,
py::rv_policy::reference_internal>(disort_nm,
auto vecs = py::bind_vector<std::vector<DisortBDRF>,
py::rv_policy::reference_internal>(disort_nm,
"ArrayOfBDRF");
vecs.doc() = "An array of BDRF functions";
generic_interface(vecs);
Expand Down Expand Up @@ -197,11 +198,10 @@ The relevant references are:
"pydisort_u",
[](disort::main_data& dis, Vector tau_, const Vector& phi) {
std::vector<Index> sorting(tau_.size());
std::iota(sorting.begin(), sorting.end(), 0);
bubble_sort_by(
[&tau_](auto il, auto jl) { return tau_[il] > tau_[jl]; },
sorting,
tau_);
stdr::iota(sorting, 0);
stdr::sort(stdv::zip(sorting, tau_), {}, [](const auto& x) {
return std::get<1>(x);
});

AscendingGrid tau{std::move(tau_)};
Tensor3 res(tau.size(), phi.size(), dis.mu().size());
Expand All @@ -220,11 +220,10 @@ The relevant references are:
"pydisort_flux_up",
[](disort::main_data& dis, Vector tau_) {
std::vector<Index> sorting(tau_.size());
std::iota(sorting.begin(), sorting.end(), 0);
bubble_sort_by(
[&tau_](auto il, auto jl) { return tau_[il] > tau_[jl]; },
sorting,
tau_);
stdr::iota(sorting, 0);
stdr::sort(stdv::zip(sorting, tau_), {}, [](const auto& x) {
return std::get<1>(x);
});

AscendingGrid tau{std::move(tau_)};
Matrix res(3, tau.size());
Expand All @@ -242,11 +241,10 @@ The relevant references are:
"pydisort_flux_down",
[](disort::main_data& dis, Vector tau_) {
std::vector<Index> sorting(tau_.size());
std::iota(sorting.begin(), sorting.end(), 0);
bubble_sort_by(
[&tau_](auto il, auto jl) { return tau_[il] > tau_[jl]; },
sorting,
tau_);
stdr::iota(sorting, 0);
stdr::sort(stdv::zip(sorting, tau_), {}, [](const auto& x) {
return std::get<1>(x);
});

AscendingGrid tau{std::move(tau_)};
Matrix res(3, tau.size());
Expand Down
8 changes: 3 additions & 5 deletions src/workspace_meta_methods.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -468,11 +468,9 @@ Equivalent (mostly) Python code:
"Output generic variables not supported in meta-functions");
}

bubble_sort_by([&wsm](Size i, Size j) { return wsm.gin[i] < wsm.gin[j]; },
wsm.gin,
wsm.gin_type,
wsm.gin_value,
wsm.gin_desc);
stdr::sort(stdv::zip(wsm.gin, wsm.gin_type, wsm.gin_value, wsm.gin_desc),
stdr::greater{},
[](const auto& x) { return std::get<0>(x); });

for (auto ptr = stdr::adjacent_find(wsm.gin); ptr != wsm.gin.end();
ptr = stdr::adjacent_find(wsm.gin)) {
Expand Down
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