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//
// Copyright (c) 2014-2024, Novartis Institutes for BioMedical Research and
// other RDKit contributors
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <boost/python.hpp>
#include <RDGeneral/types.h>
#include <RDGeneral/Invariant.h>
#include <RDBoost/PySequenceHolder.h>
#include <DataStructs/RealValueVect.h>
using namespace RDKit;
struct rvv_pickle_suite : rdkit_pickle_suite {
static python::tuple getinitargs(const RealValueVect &self) {
std::string res = self.toString();
python::object retval = python::object(
python::handle<>(PyBytes_FromStringAndSize(res.c_str(), res.length())));
return python::make_tuple(retval);
};
};
std::string realValVectDoc =
"A container class for storing real\n\
values.\n\
\n\
The length of the vector is set at construction time.\n\
\n\
As you would expect, _RealValueVects_ support a set of binary operations\n\
so you can do things like:\n\
rvv3 = rvv1 & rvv2 the result contains the smallest value in each entry\n\
rvv3 = rvv1 | rvv2 the result contains the largest value in each entry\n\
rvv1 += rvv2 \n\
rvv3 = rvv1 + rvv2 \n\
rvv1 -= rvv3 \n\
rvv3 = rvv1 - rvv2 \n\
\n\
Elements can be set and read using indexing (i.e. bv[i] = 4 or val=bv[i])\n\
\n";
struct realValVec_wrapper {
static void wrap() {
python::class_<RealValueVect>("RealValueVect", realValVectDoc.c_str(),
python::init<unsigned int>("Constructor"))
.def(python::init<std::string>())
.def("__len__", &RealValueVect::getLength,
"Get the number of entries in the vector")
.def("__setitem__", &RealValueVect::setVal,
"Set the value at a specified location")
.def("__getitem__", &RealValueVect::getVal,
"Get the value at a specified location")
.def(python::self & python::self)
.def(python::self | python::self)
.def(python::self - python::self)
.def(python::self -= python::self)
.def(python::self + python::self)
.def(python::self += python::self)
.def("GetTotalVal", &RealValueVect::getTotalVal,
"Get the sum of the values in the vector, basically L1 norm")
.def_pickle(rvv_pickle_suite());
python::def("ComputeL1Norm", computeL1Norm,
"Compute the distance between two real vector values\n");
}
};
void wrap_realValVect() { realValVec_wrapper::wrap(); }
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