RDKit
Open-source cheminformatics and machine learning.
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Namespaces | |
namespace | RDKit |
Std stuff. | |
namespace | RDKit::ScaffoldNetwork |
namespace | RDKit::ScaffoldNetwork::detail |
Functions | |
RDKIT_SCAFFOLDNETWORK_EXPORT std::vector< std::pair< std::string, ROMOL_SPTR > > | RDKit::ScaffoldNetwork::detail::getMolFragments (const ROMol &mol, const ScaffoldNetworkParams ¶ms) |
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * | RDKit::ScaffoldNetwork::detail::makeScaffoldGeneric (const ROMol &mol, bool doAtoms, bool doBonds) |
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * | RDKit::ScaffoldNetwork::detail::removeAttachmentPoints (const ROMol &mol, const ScaffoldNetworkParams ¶ms) |
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * | RDKit::ScaffoldNetwork::detail::pruneMol (const ROMol &mol, const ScaffoldNetworkParams ¶ms) |
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * | RDKit::ScaffoldNetwork::detail::flattenMol (const ROMol &mol, const ScaffoldNetworkParams ¶ms) |
RDKIT_SCAFFOLDNETWORK_EXPORT void | RDKit::ScaffoldNetwork::detail::addMolToNetwork (const ROMol &mol, ScaffoldNetwork &network, const ScaffoldNetworkParams ¶ms) |