Exemple #1
0
void FragCatalogEntry::toStream(std::ostream &ss) const {
  MolPickler::pickleMol(*dp_mol, ss);

  std::int32_t tmpInt;
  tmpInt = getBitId();
  streamWrite(ss, tmpInt);

  tmpInt = d_descrip.size();
  streamWrite(ss, tmpInt);
  ss.write(d_descrip.c_str(), tmpInt * sizeof(char));

  tmpInt = d_order;
  streamWrite(ss, tmpInt);

  tmpInt = d_aToFmap.size();
  streamWrite(ss, tmpInt);
  for (const auto &iivmci : d_aToFmap) {
    tmpInt = iivmci.first;
    streamWrite(ss, tmpInt);
    INT_VECT tmpVect = iivmci.second;
    tmpInt = tmpVect.size();
    streamWrite(ss, tmpInt);
    for (INT_VECT_CI ivci = tmpVect.begin(); ivci != tmpVect.end(); ivci++) {
      tmpInt = *ivci;
      streamWrite(ss, tmpInt);
    }
  }
}
void FragmentCatalogEntry::toStream(std::ostream &ss) const {
  MolPickler::pickleMol(*dp_mol, ss);

  boost::int32_t tmpInt;
  tmpInt = getBitId();
  streamWrite(ss, tmpInt);

  tmpInt = d_descrip.size();
  streamWrite(ss, tmpInt);
  ss.write(d_descrip.c_str(), tmpInt * sizeof(char));
}
void TransformCatalogEntry::toStream(std::ostream &ss) const {
  ReactionPickler::pickleReaction(*dp_transform, ss);

  std::int32_t tmpInt;
  tmpInt = getBitId();
  streamWrite(ss, tmpInt);

  tmpInt = d_descrip.size();
  streamWrite(ss, tmpInt);
  ss.write(d_descrip.c_str(), tmpInt * sizeof(char));
}
Exemple #4
0
void MolCatalogEntry::toStream(std::ostream &ss) const {
  PRECONDITION(dp_mol, "bad mol");
  MolPickler::pickleMol(*dp_mol, ss);

  boost::int32_t tmpInt;
  tmpInt = getBitId();
  streamWrite(ss, tmpInt);

  tmpInt = getOrder();
  streamWrite(ss, tmpInt);

  tmpInt = d_descrip.size();
  streamWrite(ss, tmpInt);
  ss.write(d_descrip.c_str(), tmpInt * sizeof(char));
}