Searched refs:molecularStructure (Results 1 – 1 of 1) sorted by relevance
221 IAtomContainer molecularStructure = oFile.getBuilder().newInstance(IAtomContainer.class); in readChemFile() local301 molecularStructure.addAtom(oAtom); in readChemFile()318 molecularStructure.addAtom(oAtom); in readChemFile()348 … if (useRebondTool.isSet()) createBondsWithRebondTool(molecularStructure); in readChemFile()349 oSet.addAtomContainer(molecularStructure); in readChemFile()368 if (molecularStructure.getAtomCount() > 0) { in readChemFile()370 oSet.addAtomContainer(molecularStructure); in readChemFile()374 … molecularStructure = oFile.getBuilder().newInstance(IAtomContainer.class); in readChemFile()409 … IAtomContainer molecule = (isProteinStructure) ? oBP : molecularStructure; in readChemFile()