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// $Id$
//
// Copyright (c) 2005-2008 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 "FreeChemicalFeature.h"
#include <RDGeneral/StreamOps.h>
#include <sstream>
#include <boost/cstdint.hpp>
namespace ChemicalFeatures {
using namespace RDKit;
using boost::int32_t;
using boost::uint32_t;
const int ci_FEAT_VERSION = 0x0020; //!< version number to use in pickles
std::string FreeChemicalFeature::toString() const {
std::stringstream ss(std::ios_base::binary | std::ios_base::out |
std::ios_base::in);
uint32_t tInt = ci_FEAT_VERSION;
streamWrite(ss, tInt);
// write the id
streamWrite(ss, d_id);
tInt = static_cast<uint32_t>(d_family.size() + 1);
streamWrite(ss, tInt);
ss.write(d_family.c_str(), tInt * sizeof(char));
tInt = static_cast<uint32_t>(d_type.size() + 1);
streamWrite(ss, tInt);
ss.write(d_type.c_str(), tInt * sizeof(char));
streamWrite(ss, d_position.x);
streamWrite(ss, d_position.y);
streamWrite(ss, d_position.z);
std::string res(ss.str());
return res;
};
void FreeChemicalFeature::initFromString(const std::string &pickle) {
std::stringstream ss(
pickle, std::ios_base::binary | std::ios_base::in | std::ios_base::out);
int version = 0;
uint32_t tInt;
streamRead(ss, tInt);
switch (tInt) {
case 0x0010:
version = 1;
break;
case 0x0020: // ok, I know this is not 2, in hex its 32 but I just want to
// keep consistent with the above
version = 2;
break;
default:
throw("Unknown version type for FreeChemicalFeature");
}
// read the id, but only if a later/newish version
if (version == 2) {
streamRead(ss, d_id);
}
char *tmpChr;
streamRead(ss, tInt);
tmpChr = new char[tInt];
ss.read(tmpChr, tInt * sizeof(char));
d_family = tmpChr;
delete[] tmpChr;
streamRead(ss, tInt);
tmpChr = new char[tInt];
ss.read(tmpChr, tInt * sizeof(char));
d_type = tmpChr;
delete[] tmpChr;
streamRead(ss, d_position.x);
streamRead(ss, d_position.y);
streamRead(ss, d_position.z);
};
}
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