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,
  BEGINPROPS, ENDPROPS
}
 mark the endian-ness of the pickle More...
 

Static Public Member Functions

static void pickleReaction (const ChemicalReaction *rxn, std::ostream &ss, unsigned int propertyFlags)
 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::ostream &ss)
 
static void pickleReaction (const ChemicalReaction &rxn, std::ostream &ss, unsigned int propertyFlags)
 
static void pickleReaction (const ChemicalReaction *rxn, std::string &res, unsigned int propertyFlags)
 pickles a reaction and adds the results to string res More...
 
static void pickleReaction (const ChemicalReaction *rxn, std::string &res)
 
static void pickleReaction (const ChemicalReaction &rxn, std::string &res)
 
static void pickleReaction (const ChemicalReaction &rxn, std::string &res, unsigned int propertyFlags)
 
static void reactionFromPickle (const std::string &pickle, ChemicalReaction *rxn)
 
static void reactionFromPickle (const std::string &pickle, ChemicalReaction &rxn)
 
static void reactionFromPickle (std::istream &ss, ChemicalReaction *rxn)
 
static void reactionFromPickle (std::istream &ss, ChemicalReaction &rxn)
 

Static Public Attributes

static const boost::int32_t versionMajor
 mark the pickle version More...
 
static const boost::int32_t versionMinor
 mark the pickle version More...
 
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 40 of file ReactionPickler.h.

Member Enumeration Documentation

◆ Tags

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, otherwise you will break old pickles.

Enumerator
VERSION 
BEGINREACTANTS 
ENDREACTANTS 
BEGINPRODUCTS 
ENDPRODUCTS 
BEGINAGENTS 
ENDAGENTS 
ENDREACTION 
BEGINPROPS 
ENDPROPS 

Definition at line 50 of file ReactionPickler.h.

Member Function Documentation

◆ pickleReaction() [1/8]

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

pickles a reaction and sends the results to stream ss

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

◆ pickleReaction() [2/8]

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

◆ pickleReaction() [3/8]

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

Definition at line 67 of file ReactionPickler.h.

References pickleReaction().

◆ pickleReaction() [4/8]

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

Definition at line 70 of file ReactionPickler.h.

References pickleReaction().

◆ pickleReaction() [5/8]

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

pickles a reaction and adds the results to string res

◆ pickleReaction() [6/8]

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

◆ pickleReaction() [7/8]

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

Definition at line 78 of file ReactionPickler.h.

References pickleReaction().

◆ pickleReaction() [8/8]

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

◆ reactionFromPickle() [1/4]

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().

◆ reactionFromPickle() [2/4]

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

Definition at line 90 of file ReactionPickler.h.

References reactionFromPickle().

◆ reactionFromPickle() [3/4]

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

constructs a reaction from a pickle stored in a stream

◆ reactionFromPickle() [4/4]

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

Definition at line 98 of file ReactionPickler.h.

References reactionFromPickle().

Member Data Documentation

◆ endianId

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

Definition at line 45 of file ReactionPickler.h.

◆ versionMajor

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

mark the pickle version

Definition at line 42 of file ReactionPickler.h.

◆ versionMinor

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

mark the pickle version

Definition at line 43 of file ReactionPickler.h.

◆ versionPatch

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

mark the pickle version

Definition at line 44 of file ReactionPickler.h.


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