11 #ifndef _RD_RXNPICKLE_H_2JUNE2009_
12 #define _RD_RXNPICKLE_H_2JUNE2009_
23 class ChemicalReaction;
30 const char *
message ()
const {
return _msg.c_str(); };
const char * message() const
static const boost::int32_t versionPatch
mark the pickle version
static void pickleReaction(const ChemicalReaction &rxn, std::ostream &ss)
This is a class for storing and applying general chemical reactions.
ReactionPicklerException(const std::string msg)
used to indicate exceptions whilst pickling (serializing) reactions
static void reactionFromPickle(const std::string &pickle, ChemicalReaction *rxn)
constructs a reaction from a pickle stored in a string
static const boost::int32_t versionMinor
static void reactionFromPickle(const std::string &pickle, ChemicalReaction &rxn)
Includes a bunch of functionality for handling Atom and Bond queries.
Tags
mark the endian-ness of the pickle
static void pickleReaction(const ChemicalReaction &rxn, std::string &res)
static const boost::int32_t endianId
static void reactionFromPickle(std::istream &ss, ChemicalReaction &rxn)
static const boost::int32_t versionMajor
~ReactionPicklerException()
handles pickling (serializing) reactions
ReactionPicklerException(const char *msg)
static void pickleReaction(const ChemicalReaction *rxn, std::ostream &ss)
pickles a reaction and sends the results to stream ss