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60 lines
2.1 KiB
C++
60 lines
2.1 KiB
C++
// $Id$
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//
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// Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <RDBoost/Wrap.h>
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#include <DataStructs/BitVects.h>
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#include <DataStructs/BitVectUtils.h>
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#include <DataStructs/BitOps.h>
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namespace python = boost::python;
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ExplicitBitVect *createFromBitString(const std::string &bits){
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ExplicitBitVect *res=new ExplicitBitVect(bits.length());
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FromBitString(*res,bits);
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return res;
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}
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ExplicitBitVect *createFromFPSText(const std::string &fps){
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ExplicitBitVect *res=new ExplicitBitVect(fps.length()*4);
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UpdateBitVectFromFPSText(*res,fps);
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return res;
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}
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struct Utils_wrapper {
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static void wrap(){
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python::def("ConvertToExplicit", convertToExplicit,
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python::return_value_policy<python::manage_new_object>(),
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"Converts a SparseBitVector to an ExplicitBitVector and returns the ExplicitBitVector");
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python::def("CreateFromBitString",createFromBitString,
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python::return_value_policy<python::manage_new_object>(),
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"Creates an ExplicitBitVect from a bit string (string of 0s and 1s).");
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python::def("CreateFromFPSText",createFromFPSText,
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python::return_value_policy<python::manage_new_object>(),
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"Creates an ExplicitBitVect from an FPS string.");
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python::def("InitFromDaylightString",
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(void (*)(SparseBitVect &,std::string))FromDaylightString);
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python::def("InitFromDaylightString",
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(void (*)(ExplicitBitVect &,std::string))FromDaylightString,
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"Fill a BitVect using an ASCII (Daylight) encoding of a fingerprint.\n\
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\n\
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**Arguments**\n\
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- bv: either a _SparseBitVect_ or an _ExplicitBitVect_\n\
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- txt: a string with the Daylight encoding (this is the text that\n\
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the Daylight tools put in the FP field of a TDT)\n\
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\n");
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}
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};
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void wrap_Utils() {
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Utils_wrapper::wrap();
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}
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