Files
rdkit/Code/JavaWrappers/transforms.i
Paolo Tosco 177c09cd6b Expose additional functionality to SWIG wrappers (#5614)
* - setenv() should be defined also for MinGW builds, not just MSVC
- fixed getBestRMS signature (ROMol& should be const)
- expose normalizeDepiction(), straightenDepiction(), getBestRMS(), CalcRMS() and getBestAlignmentTransform() to SWIG wrappers
- expose MolFromSmiles() overload taking SmilesParserParams parameter to SWIG wrappers
- expose DoubleVector class to SWIG wrappers as it is needed by alignment functions
- replace std::string with const std::string& in several SWIG wrapper signatures
- build RDKit2DotNet.dll as a 64-bit library on MinGW 64-bit
- add Java tests for the newly exposed SWIG functions
- fixed inconsistent indentation in Chemv2Tests.java

* changes in response to review

* fix typo

* reverted file committed by mistake

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
2022-10-04 05:04:28 +02:00

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/*
* $Id$
*
* 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.
*/
%{
#include <Numerics/SquareMatrix.h>
#include <Geometry/Transform.h>
#include <Geometry/Transform2D.h>
#include <Geometry/Transform3D.h>
#include <Numerics/SymmMatrix.h>
%}
%include <Numerics/Vector.h>
%include <Numerics/Matrix.h>
%include <Numerics/SquareMatrix.h>
%include <Numerics/SymmMatrix.h>
/* These template definitions need to come after the C++ template definition code, but before the
instantiation by other modules. */
%template(IntMatrix) RDNumeric::Matrix<int>;
%template(DoubleMatrix) RDNumeric::Matrix<double>;
%template(IntSymmMatrix) RDNumeric::SymmMatrix<int>;
%template(DoubleSymmMatrix) RDNumeric::SymmMatrix<double>;
%template(DoubleSquareMatrix) RDNumeric::SquareMatrix<double>;
%template(DoubleVector) RDNumeric::Vector<double>;
%include <Geometry/Transform.h>
%include <Geometry/Transform2D.h>
%include <Geometry/Transform3D.h>