RDKit
Open-source cheminformatics and machine learning.
RDKit::ReactionPickler Class Reference

handles pickling (serializing) reactions More...

#include <ReactionPickler.h>

Public Types

enum  Tags {
  VERSION = 10000, BEGINREACTANTS, ENDREACTANTS, BEGINPRODUCTS,
  ENDPRODUCTS, BEGINAGENTS, ENDAGENTS, ENDREACTION
}
 mark the endian-ness of the pickle More...
 

Static Public Member Functions

static void pickleReaction (const ChemicalReaction *rxn, std::ostream &ss)
 pickles a reaction and sends the results to stream ss More...
 
static void pickleReaction (const ChemicalReaction &rxn, std::ostream &ss)
 
static void pickleReaction (const ChemicalReaction *rxn, std::string &res)
 pickles a reaction and adds the results to string res More...
 
static void pickleReaction (const ChemicalReaction &rxn, std::string &res)
 
static void reactionFromPickle (const std::string &pickle, ChemicalReaction *rxn)
 constructs a reaction from a pickle stored in a string More...
 
static void reactionFromPickle (const std::string &pickle, ChemicalReaction &rxn)
 
static void reactionFromPickle (std::istream &ss, ChemicalReaction *rxn)
 constructs a reaction from a pickle stored in a stream More...
 
static void reactionFromPickle (std::istream &ss, ChemicalReaction &rxn)
 

Static Public Attributes

static const boost::int32_t versionMajor
 
static const boost::int32_t versionMinor
 
static const boost::int32_t versionPatch
 mark the pickle version More...
 
static const boost::int32_t endianId
 

Detailed Description

handles pickling (serializing) reactions

Definition at line 38 of file ReactionPickler.h.

Member Enumeration Documentation

mark the endian-ness of the pickle

the pickle format is tagged using these tags: NOTE: if you add to this list, be sure to put new entries AT THE BOTTOM, you will break old pickles.

Enumerator
VERSION 
BEGINREACTANTS 
ENDREACTANTS 
BEGINPRODUCTS 
ENDPRODUCTS 
BEGINAGENTS 
ENDAGENTS 
ENDREACTION 

Definition at line 48 of file ReactionPickler.h.

Member Function Documentation

static void RDKit::ReactionPickler::pickleReaction ( const ChemicalReaction rxn,
std::ostream &  ss 
)
static

pickles a reaction and sends the results to stream ss

Referenced by RDKit::EnumerateLibraryBase::initFromString(), and pickleReaction().

static void RDKit::ReactionPickler::pickleReaction ( const ChemicalReaction rxn,
std::ostream &  ss 
)
inlinestatic

Definition at line 61 of file ReactionPickler.h.

References pickleReaction().

static void RDKit::ReactionPickler::pickleReaction ( const ChemicalReaction rxn,
std::string &  res 
)
static

pickles a reaction and adds the results to string res

static void RDKit::ReactionPickler::pickleReaction ( const ChemicalReaction rxn,
std::string &  res 
)
inlinestatic
static void RDKit::ReactionPickler::reactionFromPickle ( const std::string &  pickle,
ChemicalReaction rxn 
)
static

constructs a reaction from a pickle stored in a string

Referenced by RDKit::EnumerateLibraryBase::initFromString(), and reactionFromPickle().

static void RDKit::ReactionPickler::reactionFromPickle ( const std::string &  pickle,
ChemicalReaction rxn 
)
inlinestatic

Definition at line 73 of file ReactionPickler.h.

References reactionFromPickle().

static void RDKit::ReactionPickler::reactionFromPickle ( std::istream &  ss,
ChemicalReaction rxn 
)
static

constructs a reaction from a pickle stored in a stream

static void RDKit::ReactionPickler::reactionFromPickle ( std::istream &  ss,
ChemicalReaction rxn 
)
inlinestatic

Definition at line 80 of file ReactionPickler.h.

References reactionFromPickle().

Member Data Documentation

const boost::int32_t RDKit::ReactionPickler::endianId
static

Definition at line 42 of file ReactionPickler.h.

const boost::int32_t RDKit::ReactionPickler::versionMajor
static

Definition at line 40 of file ReactionPickler.h.

const boost::int32_t RDKit::ReactionPickler::versionMinor
static

Definition at line 40 of file ReactionPickler.h.

const boost::int32_t RDKit::ReactionPickler::versionPatch
static

mark the pickle version

Definition at line 40 of file ReactionPickler.h.


The documentation for this class was generated from the following file: