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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
std::vector< LinkNode > | getMolLinkNodes (const ROMol &mol, bool strict=true, const std::map< unsigned, Atom * > *atomIdxMap=nullptr) |
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Definition at line 31 of file LinkNode.h.
References RDKit::MolEnumerator::LinkNode::bondAtoms, BOOST_LOG, RDKit::ROMol::getBondBetweenAtoms(), RDKit::RDProps::getPropIfPresent(), RDKit::MolEnumerator::LinkNode::maxRep, RDKit::MolEnumerator::LinkNode::minRep, RDKit::common_properties::molFileLinkNodes, RDKit::MolEnumerator::LinkNode::nBonds, rdWarningLog, and UNDER_CONSTRUCTION.