FreeChemicalFeature.cpp

// $Id$
//
// 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 <cstdint>

namespace ChemicalFeatures {
using namespace RDKit;
using std::int32_t;
using std::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);
};
}  // namespace ChemicalFeatures