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// $Id$
//
// Copyright (C) 2003-2012 greg Landrum and Rational Discovery LLC
//
// @@ 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 <RDBoost/Wrap.h>
#include <DataStructs/BitVects.h>
#include <DataStructs/BitVectUtils.h>
#include <DataStructs/BitOps.h>
namespace python = boost::python;
ExplicitBitVect *createFromBitString(const std::string &bits) {
auto *res = new ExplicitBitVect(bits.length());
FromBitString(*res, bits);
return res;
}
ExplicitBitVect *createFromFPSText(const std::string &fps) {
if (fps.length() % 2) {
throw ValueErrorException(
"input string must have an even number of characters");
}
auto *res = new ExplicitBitVect(fps.length() * 4);
UpdateBitVectFromFPSText(*res, fps);
return res;
}
ExplicitBitVect *createFromBinaryText(const std::string &fps) {
auto *res = new ExplicitBitVect(fps.length() * 8);
UpdateBitVectFromBinaryText(*res, fps);
return res;
}
struct Utils_wrapper {
static void wrap() {
python::def("ConvertToExplicit", convertToExplicit,
python::return_value_policy<python::manage_new_object>(),
"Converts a SparseBitVector to an ExplicitBitVector and "
"returns the ExplicitBitVector");
python::def(
"CreateFromBitString", createFromBitString,
python::return_value_policy<python::manage_new_object>(),
"Creates an ExplicitBitVect from a bit string (string of 0s and 1s).");
python::def("CreateFromFPSText", createFromFPSText,
python::return_value_policy<python::manage_new_object>(),
"Creates an ExplicitBitVect from an FPS string.");
python::def(
"CreateFromBinaryText", createFromBinaryText,
python::return_value_policy<python::manage_new_object>(),
"Creates an ExplicitBitVect from a binary string (byte array).");
python::def(
"InitFromDaylightString",
(void (*)(SparseBitVect &, const std::string &))FromDaylightString);
python::def(
"InitFromDaylightString",
(void (*)(ExplicitBitVect &, const std::string &))FromDaylightString,
"Fill a BitVect using an ASCII (Daylight) encoding of a fingerprint.\n\
\n\
**Arguments**\n\
- bv: either a _SparseBitVect_ or an _ExplicitBitVect_\n\
- txt: a string with the Daylight encoding (this is the text that\n\
the Daylight tools put in the FP field of a TDT)\n\
\n");
}
};
void wrap_Utils() { Utils_wrapper::wrap(); }
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