mirror of
https://github.com/rdkit/rdkit.git
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65 lines
2.1 KiB
C++
65 lines
2.1 KiB
C++
// $Id$
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//
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// Copyright (C) 2005-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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//
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#include <boost/python.hpp>
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#include <RDGeneral/types.h>
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#include<RDGeneral/Invariant.h>
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#include <RDBoost/PySequenceHolder.h>
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#include <DataStructs/DiscreteValueVect.h>
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using namespace RDKit;
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struct dvv_pickle_suite : python::pickle_suite
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{
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static python::tuple
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getinitargs(const DiscreteValueVect& self)
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{
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return python::make_tuple(self.toString());
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};
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};
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std::string disValVectDoc = "A container class for storing discrete integer values\n";
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struct discreteValVec_wrapper {
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static void wrap() {
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python::enum_<DiscreteValueVect::DiscreteValueType>("DiscreteValueType")
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.value("ONEBITVALUE", DiscreteValueVect::ONEBITVALUE)
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.value("TWOBITVALUE", DiscreteValueVect::TWOBITVALUE)
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.value("FOURBITVALUE", DiscreteValueVect::FOURBITVALUE)
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.value("EIGHTBITVALUE", DiscreteValueVect::EIGHTBITVALUE)
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.value("SIXTEENBITVALUE", DiscreteValueVect::SIXTEENBITVALUE)
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;
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python::class_<DiscreteValueVect>("DiscreteValueVect",
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disValVectDoc.c_str(),
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python::init<DiscreteValueVect::DiscreteValueType, unsigned int>("Constructor"))
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.def(python::init<std::string>())
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.def("__len__", &DiscreteValueVect::getLength,
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"Get the number of entries in the vector")
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.def("__setitem__", &DiscreteValueVect::setVal,
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"Set the value at a specified location")
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.def("__getitem__", &DiscreteValueVect::getVal,
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"Get the value at a specified location")
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.def("GetValueType", &DiscreteValueVect::getValueType,
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"Get the type of value stored in the vector")
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.def("GetTotalVal", &DiscreteValueVect::getTotalVal,
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"Get the sum of the values in the vector, basically L1 norm")
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.def_pickle(dvv_pickle_suite())
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;
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python::def("ComputeL1Norm", computeL1Norm,
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"Compute the distance between two discrete vector values\n");
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}
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};
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void wrap_discreteValVect() {
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discreteValVec_wrapper::wrap();
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}
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