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Do deprecations for 2026.09 release (#9213)

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* Do deprecations

* update release notes
This commit is contained in:
Greg Landrum
2026-05-29 10:19:17 +02:00
committed by GitHub
parent 28112aaef9
commit b50343f7f7
4 changed files with 4 additions and 17 deletions
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5
Code/GraphMol/Chirality.h
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@@ -117,11 +117,6 @@ enum class StereoSpecified {
struct RDKIT_GRAPHMOL_EXPORT StereoInfo { struct RDKIT_GRAPHMOL_EXPORT StereoInfo {
// REVIEW: absolute stereo data member? // REVIEW: absolute stereo data member?
// used to mark missing atoms
[[deprecated(
"please use Atom::NOATOM")]] inline static constexpr unsigned int NOATOM =
Atom::NOATOM;
StereoType type = StereoType::Unspecified; StereoType type = StereoType::Unspecified;
StereoSpecified specified = StereoSpecified::Unspecified; StereoSpecified specified = StereoSpecified::Unspecified;
unsigned centeredOn = Atom::NOATOM; unsigned centeredOn = Atom::NOATOM;

2
Code/GraphMol/Wrap/Chirality.cpp
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@@ -43,8 +43,6 @@ struct chirality_wrapper {
.value("Bond_Trans", Chirality::StereoDescriptor::Bond_Trans); .value("Bond_Trans", Chirality::StereoDescriptor::Bond_Trans);
python::class_<Chirality::StereoInfo>("StereoInfo", python::class_<Chirality::StereoInfo>("StereoInfo",
"Class describing stereochemistry") "Class describing stereochemistry")
.def_readonly("NOATOM", &Atom::NOATOM,
"marker for unspecified int values")
.def_readwrite("type", &Chirality::StereoInfo::type, .def_readwrite("type", &Chirality::StereoInfo::type,
"the type of stereo") "the type of stereo")
.def_readwrite("specified", &Chirality::StereoInfo::specified, .def_readwrite("specified", &Chirality::StereoInfo::specified,

10
Code/RDGeneral/hanoiSort.h
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@@ -150,16 +150,6 @@ bool hanoi(int *base, int nel, int *temp, int *count, int *changed,
} }
} // namespace detail } // namespace detail
template <typename CompareFunc> template <typename CompareFunc>
[[deprecated("Use the overload that takes std::span and std::vector instead")]]
void hanoisort(int *base, int nel, int *count, int *changed,
CompareFunc compar) {
assert(base);
std::vector<int> tempVec(nel);
if (detail::hanoi(base, nel, tempVec.data(), count, changed, compar)) {
memmove(base, tempVec.data(), nel * sizeof(int));
}
}
template <typename CompareFunc>
void hanoisort(std::span<int> &base, std::vector<int> &count, void hanoisort(std::span<int> &base, std::vector<int> &count,
std::vector<int> &changed, CompareFunc compar) { std::vector<int> &changed, CompareFunc compar) {
std::vector<int> tempVec(base.size()); std::vector<int> tempVec(base.size());

4
ReleaseNotes.md
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@@ -14,6 +14,10 @@ definition is the one with the lowest index, and the second one is the neighbor
to the first which also has the lowest index. to the first which also has the lowest index.
## Code removed in this release: ## Code removed in this release:
- The version of hanoiSort() that takes raw pointers has been removed. Please use
the version that takes std::span and std::vector.
- `Chirality::StereoInfo::NOATOM` (C++) and `Chem.StereoInfo.NOATOM` (Python) have
been removed. Please use `Atom::NOATOM` and `Chem.Atom.NOATOM`.
## Deprecated code (to be removed in a future release): ## Deprecated code (to be removed in a future release):