12 #ifndef RD_RXNPICKLE_H_2JUNE2009 13 #define RD_RXNPICKLE_H_2JUNE2009 25 class ChemicalReaction;
32 const char *
message()
const {
return _msg.c_str(); };
65 unsigned int propertyFlags);
71 unsigned int propertyFlags) {
76 unsigned int propertyFlags);
82 unsigned int propertyFlags) {
88 static void reactionFromPickle(
const std::string &
pickle,
105 unsigned int propertyFlags);
108 static void _depickle(std::istream &ss,
ChemicalReaction *rxn,
int version);
111 static void _pickleProperties(std::ostream &ss,
const RDProps &props,
112 unsigned int pickleFlags);
114 static void _unpickleProperties(std::istream &ss,
RDProps &props);
static void pickleReaction(const ChemicalReaction &rxn, std::string &res, unsigned int propertyFlags)
static void pickleReaction(const ChemicalReaction &rxn, std::ostream &ss, unsigned int propertyFlags)
static const boost::int32_t versionPatch
mark the pickle version
static void pickleReaction(const ChemicalReaction &rxn, std::ostream &ss)
const char * message() const
This is a class for storing and applying general chemical reactions.
RDKIT_CHEMREACTIONS_EXPORT void pickle(const boost::shared_ptr< EnumerationStrategyBase > &enumerator, std::ostream &ss)
pickles a EnumerationStrategy and adds the results to a stream ss
ReactionPicklerException(const std::string msg)
used to indicate exceptions whilst pickling (serializing) reactions
static void reactionFromPickle(const std::string &pickle, ChemicalReaction *rxn)
static const boost::int32_t versionMinor
mark the pickle version
static void reactionFromPickle(const std::string &pickle, ChemicalReaction &rxn)
static void pickleReaction(const ChemicalReaction *rxn, std::ostream &ss, unsigned int propertyFlags)
pickles a reaction and sends the results to stream ss
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
mark the pickle version
#define RDKIT_CHEMREACTIONS_EXPORT
~ReactionPicklerException()
handles pickling (serializing) reactions
ReactionPicklerException(const char *msg)