// // // Copyright (C) 2019 Greg Landrum // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #include #include "minilib.h" using namespace emscripten; EMSCRIPTEN_BINDINGS(RDKit_minimal) { class_("Mol") .function("is_valid", &JSMol::is_valid) .function("get_smiles", &JSMol::get_smiles) .function("get_molblock", &JSMol::get_molblock) .function("get_inchi", &JSMol::get_inchi) .function("get_svg", &JSMol::get_svg) .function("get_svg_with_highlights", &JSMol::get_svg_with_highlights) .function("get_substruct_match", &JSMol::get_substruct_match) .function("get_descriptors", &JSMol::get_descriptors) .function("get_morgan_fp", select_overload(&JSMol::get_morgan_fp)) .function("get_morgan_fp", select_overload( &JSMol::get_morgan_fp)); function("version", &version); function("get_inchikey_for_inchi", &get_inchikey_for_inchi); function("get_mol", &get_mol, allow_raw_pointers()); function("get_qmol", &get_qmol, allow_raw_pointers()); }