/* * $Id$ * * Copyright (c) 2010, 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. */ %typemap(javaimports) RDKit::SmilesWriter " /** The SmilesWriter is for writing molecules and properties to delimited text files. */" %javamethodmodifiers RDKit::SmilesWriter::SmilesWriter ( std::string fileName, std::string delimiter = ' ', std::string nameHeader = 'Name', bool includeHeader = true, bool isomericSmiles = false, bool kekuleSmiles = false ) " /**

@param fileName : filename to write to ('-' to write to stdout) delimiter : delimiter to use in the text file nameHeader : used to label the name column in the output. If this is provided as the empty string, no names will be written. includeHeader : toggles inclusion of a header line in the output isomericSmiles : toggles generation of isomeric SMILES kekuleSmiles : toggles the generation of kekule SMILES */ public"; %javamethodmodifiers RDKit::SmilesWriter::SmilesWriter ( std::ostream * outStream, std::string delimiter = ' ', std::string nameHeader = 'Name', bool includeHeader = true, bool takeOwnership = false, bool isomericSmiles = false, bool kekuleSmiles = false ) " /**

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

*/ public";