/* * * Copyright (c) 2014, Novartis Institutes for BioMedical Research Inc. * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are * met: * * * Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * * Redistributions in binary form must reproduce the above * copyright notice, this list of conditions and the following * disclaimer in the documentation and/or other materials provided * with the distribution. * * Neither the name of Novartis Institutes for BioMedical Research Inc. * nor the names of its contributors may be used to endorse or promote * products derived from this software without specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR * A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT * OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ %{ #include %} %ignore MCSParameters; %ignore MCSParametersInternal; %ignore findMCS(const std::vector& mols, const MCSParameters* params); %ignore checkAtomRingMatch(const MCSAtomCompareParameters& p, const ROMol& mol1, unsigned int atom1, const ROMol& mol2, unsigned int atom2); %ignore checkAtomCharge(const MCSAtomCompareParameters& p, const ROMol& mol1, unsigned int atom1, const ROMol& mol2, unsigned int atom2); %ignore checkAtomChirality(const MCSAtomCompareParameters& p, const ROMol& mol1, unsigned int atom1, const ROMol& mol2, unsigned int atom2); %ignore checkBondStereo(const MCSBondCompareParameters& p, const ROMol& mol1, unsigned int bond1, const ROMol& mol2, unsigned int bond2); %ignore checkBondRingMatch(const MCSBondCompareParameters &p, const ROMol& mol1, unsigned int bond1, const ROMol& mol2, unsigned int bond2, void* v_ringMatchMatrixSet); %include %{ RDKit::MCSResult findMCS(const std::vector& mols){ return RDKit::findMCS(mols,static_cast(NULL)); }; %}