/* * Copyright (c) 2015, 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. */ //%import "ROMol.i" %include "std_vector.i" %{ #include #include #include using RDKit::GeneralizedSubstruct::ExtendedQueryMol; %} %shared_ptr(RDKit::TautomerQuery) %shared_ptr(RDKit::MolHolderBase) %shared_ptr(RDKit::MolHolder) %shared_ptr(RDKit::CachedMolHolder) %shared_ptr(RDKit::CachedSmilesMolHolder) %shared_ptr(RDKit::CachedTrustedSmilesMolHolder) %shared_ptr(RDKit::FPHolderBase) %shared_ptr(RDKit::PatternHolder) %shared_ptr(RDKit::TautomerPatternHolder) %shared_ptr(RDKit::KeyHolderBase) %shared_ptr(RDKit::KeyFromPropHolder) %template(UChar_Vect) std::vector; %typemap(javacode) RDKit::SubstructLibrary %{ public static SubstructLibrary Deserialize(byte[] b) { UChar_Vect vec = null; try { vec = new UChar_Vect(); vec.reserve(b.length); for (int size=0;size & data ) { std::string str(data.begin(), data.end()); return new RDKit::SubstructLibrary(str); } static bool canSerialize() { return RDKit::SubstructLibraryCanSerialize(); } } #ifdef SWIGJAVA %typemap(jni) std::string RDKit::SubstructLibrary::Serialize "jbyteArray" %typemap(jtype) std::string RDKit::SubstructLibrary::Serialize "byte[]" %typemap(jstype) std::string RDKit::SubstructLibrary::Serialize "byte[]" %typemap(javaout) std::string RDKit::SubstructLibrary::Serialize { return $jnicall; } %typemap(out) std::string RDKit::SubstructLibrary::Serialize { $result = JCALL1(NewByteArray, jenv, $1.size()); JCALL4(SetByteArrayRegion, jenv, $result, 0, $1.size(), (const jbyte*)$1.c_str()); } #endif %include %include %extend RDKit::SubstructLibrary { %template(getMatches) getMatches; %template(getMatches) getMatches; %template(getMatches) getMatches; %template(countMatches) countMatches; %template(countMatches) countMatches; %template(countMatches) countMatches; %template(hasMatch) hasMatch; %template(hasMatch) hasMatch; %template(hasMatch) hasMatch; } %pragma(java) modulecode=%{ public static SubstructLibrary SubstructLibraryDeserialize(byte[] b) { UChar_Vect vec = new UChar_Vect(); vec.reserve(b.length); for (int size=0;size