From b50343f7f79e68443e4c1ed6ac450b79a4214fd6 Mon Sep 17 00:00:00 2001 From: Greg Landrum Date: Fri, 29 May 2026 10:19:17 +0200 Subject: [PATCH] Do deprecations for 2026.09 release (#9213) * Do deprecations * update release notes --- Code/GraphMol/Chirality.h | 5 ----- Code/GraphMol/Wrap/Chirality.cpp | 2 -- Code/RDGeneral/hanoiSort.h | 10 ---------- ReleaseNotes.md | 4 ++++ 4 files changed, 4 insertions(+), 17 deletions(-) diff --git a/Code/GraphMol/Chirality.h b/Code/GraphMol/Chirality.h index c81ccc890..00f628293 100644 --- a/Code/GraphMol/Chirality.h +++ b/Code/GraphMol/Chirality.h @@ -117,11 +117,6 @@ enum class StereoSpecified { struct RDKIT_GRAPHMOL_EXPORT StereoInfo { // 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; StereoSpecified specified = StereoSpecified::Unspecified; unsigned centeredOn = Atom::NOATOM; diff --git a/Code/GraphMol/Wrap/Chirality.cpp b/Code/GraphMol/Wrap/Chirality.cpp index 98b350e53..0581875bd 100644 --- a/Code/GraphMol/Wrap/Chirality.cpp +++ b/Code/GraphMol/Wrap/Chirality.cpp @@ -43,8 +43,6 @@ struct chirality_wrapper { .value("Bond_Trans", Chirality::StereoDescriptor::Bond_Trans); python::class_("StereoInfo", "Class describing stereochemistry") - .def_readonly("NOATOM", &Atom::NOATOM, - "marker for unspecified int values") .def_readwrite("type", &Chirality::StereoInfo::type, "the type of stereo") .def_readwrite("specified", &Chirality::StereoInfo::specified, diff --git a/Code/RDGeneral/hanoiSort.h b/Code/RDGeneral/hanoiSort.h index 44fad460b..69182b49f 100644 --- a/Code/RDGeneral/hanoiSort.h +++ b/Code/RDGeneral/hanoiSort.h @@ -150,16 +150,6 @@ bool hanoi(int *base, int nel, int *temp, int *count, int *changed, } } // namespace detail template -[[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 tempVec(nel); - if (detail::hanoi(base, nel, tempVec.data(), count, changed, compar)) { - memmove(base, tempVec.data(), nel * sizeof(int)); - } -} -template void hanoisort(std::span &base, std::vector &count, std::vector &changed, CompareFunc compar) { std::vector tempVec(base.size()); diff --git a/ReleaseNotes.md b/ReleaseNotes.md index f683c82f0..c370126b6 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -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. ## 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):