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d41752d558
* run clang-tidy with readability-braces-around-statements clang-format the results clean up all the parts that clang-tidy-8 broke * fix problem on windows
42 lines
1.4 KiB
C++
42 lines
1.4 KiB
C++
#include <algorithm>
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#include <utility>
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#include "StereoGroup.h"
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namespace RDKit {
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StereoGroup::StereoGroup(StereoGroupType grouptype, std::vector<Atom *> &&atoms)
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: d_grouptype(grouptype), d_atoms(atoms) {}
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StereoGroup::StereoGroup(StereoGroupType grouptype,
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const std::vector<Atom *> &atoms)
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: d_grouptype(grouptype), d_atoms(std::move(atoms)) {}
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StereoGroupType StereoGroup::getGroupType() const { return d_grouptype; }
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const std::vector<Atom *> &StereoGroup::getAtoms() const { return d_atoms; }
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void removeGroupsWithAtom(const Atom *atom, std::vector<StereoGroup> &groups) {
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auto containsAtom = [atom](const StereoGroup &group) {
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return std::find(group.getAtoms().cbegin(), group.getAtoms().cend(),
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atom) != group.getAtoms().cend();
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};
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groups.erase(std::remove_if(groups.begin(), groups.end(), containsAtom),
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groups.end());
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}
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void removeGroupsWithAtoms(const std::vector<Atom *> &atoms,
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std::vector<StereoGroup> &groups) {
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auto containsAnyAtom = [atoms](const StereoGroup &group) {
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for (auto atom : atoms) {
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if (std::find(group.getAtoms().cbegin(), group.getAtoms().cend(), atom) !=
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group.getAtoms().cend()) {
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return true;
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}
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}
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return false;
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};
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groups.erase(std::remove_if(groups.begin(), groups.end(), containsAnyAtom),
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groups.end());
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}
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} // namespace RDKit
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