/* * $Id$ * * 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::TDTMolSupplier " /** lazy file parser for TDT files */" %javamethodmodifiers RDKit::TDTMolSupplier::TDTMolSupplier ( const std::string & fileName, const std::string & nameRecord = "", int confId2D = -1, int confId3D = 0, bool sanitize = true ) " /**

@param fileName - the name of the TDT file nameRecord - property name for the molecule name. If empty (the default), the name defaults to be empty confId2D - if >=0 and 2D coordinates are provided, the 2D structure (depiction) in the input will be read into the corresponding conformer id. confId3D - if >=0 and 3D coordinates are provided, the 3D structure (depiction) in the input will be read into the corresponding conformer id. sanitize - if true sanitize the molecule before returning it */ public"; %javamethodmodifiers RDKit::TDTMolSupplier::getItemText ( unsigned int idx ) " /**

@return the text block for a particular item

@param idx - which item to return */ public";