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62 lines
2.9 KiB
OpenEdge ABL
62 lines
2.9 KiB
OpenEdge ABL
/*
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* $Id$
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*
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* Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
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* All rights reserved.
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*
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* Redistribution and use in source and binary forms, with or without
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* modification, are permitted provided that the following conditions are
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* met:
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*
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* * Redistributions of source code must retain the above copyright
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* notice, this list of conditions and the following disclaimer.
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* * Redistributions in binary form must reproduce the above
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* copyright notice, this list of conditions and the following
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* disclaimer in the documentation and/or other materials provided
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* with the distribution.
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* * Neither the name of Novartis Institutes for BioMedical Research Inc.
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* nor the names of its contributors may be used to endorse or promote
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* products derived from this software without specific prior written permission.
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*
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
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* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
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* OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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* SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
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* LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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* DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
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* THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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*/
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%typemap(javaimports) RDKit::SmilesWriter "
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/**
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The SmilesWriter is for writing molecules and properties to delimited text files. */"
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%javamethodmodifiers RDKit::SmilesWriter::SmilesWriter ( std::string fileName, std::string delimiter = ' ', std::string nameHeader = 'Name', bool includeHeader = true, bool isomericSmiles = false, bool kekuleSmiles = false ) "
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/**
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<p>
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<p>
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@param
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fileName : filename to write to ('-' to write to stdout)
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delimiter : delimiter to use in the text file
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nameHeader : used to label the name column in the output. If this is provided as the empty string, no names will be written.
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includeHeader : toggles inclusion of a header line in the output
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isomericSmiles : toggles generation of isomeric SMILES
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kekuleSmiles : toggles the generation of kekule SMILES
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*/
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public";
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%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 ) "
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/**
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<p>
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This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
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<p>
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*/
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public";
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