// // Copyright (c) 2024, Glysade 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 "node.h" #include "utils.h" #include "bracket.h" namespace RDKit { namespace ChemDraw { // This is currently unimplemented waiting on full bracket support in the rdkit // or support for expansion inside the RDChemDrawLib bool parseBracket(CDXBracketedGroup &bracket, PageData & /*pagedata*/) { // Get the contained atoms/bonds in the bracket for (auto &attachment : bracket.ContainedObjects()) { auto childid = (CDXDatumID)attachment.second->GetTag(); if (childid == kCDXObj_BracketAttachment) { auto &bracketattachment = (CDXBracketAttachment &)(*attachment.second); for (auto &bracketdata : bracketattachment.ContainedObjects()) { auto bracketid = (CDXDatumID)bracketdata.second->GetTag(); if (bracketid == kCDXObj_CrossingBond) { // CDXCrossingBond &crossingbond = // (CDXCrossingBond &)(*attachment.second); // XX unimplmented crossingbond.m_bondID; // bond that crosses // brackets XX unimplmented crossingbond.m_innerAtomID; // atom // within brackets } } } } // SubstanceGroup sgroup; switch (bracket.m_usage) { case kCDXBracketUsage_Unspecified: break; case kCDXBracketUsage_Anypolymer: break; case kCDXBracketUsage_Component: break; case kCDXBracketUsage_Copolymer: break; case kCDXBracketUsage_CopolymerAlternating: break; case kCDXBracketUsage_CopolymerBlock: break; case kCDXBracketUsage_CopolymerRandom: break; case kCDXBracketUsage_Crosslink: break; case kCDXBracketUsage_Generic: break; case kCDXBracketUsage_Graft: break; case kCDXBracketUsage_Mer: case kCDXBracketUsage_MixtureOrdered: break; case kCDXBracketUsage_MixtureUnordered: break; case kCDXBracketUsage_Modification: break; case kCDXBracketUsage_Monomer: // repeat head-to-tail, head-to-head (check // flip) break; case kCDXBracketUsage_MultipleGroup: break; case kCDXBracketUsage_MultipleGroupOverride: break; case kCDXBracketUsage_SRU: // Structural repeating unit, repeat pattern // head-to-tail (default) head-to-head (check // flip?) break; case kCDXBracketUsage_Unused1: break; case kCDXBracketUsage_Unused2: break; } return true; } } // namespace ChemDraw } // namespace RDKit