RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
Public Types | Static Public Member Functions | Static Public Attributes | List of all members
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 , BEGINSSSPARAMS , ENDSSSPARAMS
}
 

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
 
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
 
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 std::int32_t versionMajor
 mark the pickle version
 
static const std::int32_t versionMinor
 mark the pickle version
 
static const std::int32_t versionPatch
 mark the pickle version
 
static const std::int32_t endianId
 mark the endian-ness of the pickle
 

Detailed Description

handles pickling (serializing) reactions

Definition at line 41 of file ReactionPickler.h.

Member Enumeration Documentation

◆ Tags

enum RDKit::ReactionPickler::Tags

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 
BEGINSSSPARAMS 
ENDSSSPARAMS 

Definition at line 51 of file ReactionPickler.h.

Member Function Documentation

◆ pickleReaction() [1/8]

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

Definition at line 70 of file ReactionPickler.h.

◆ pickleReaction() [2/8]

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

Definition at line 73 of file ReactionPickler.h.

◆ pickleReaction() [3/8]

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

Definition at line 81 of file ReactionPickler.h.

◆ pickleReaction() [4/8]

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

Definition at line 84 of file ReactionPickler.h.

◆ pickleReaction() [5/8]

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

◆ pickleReaction() [6/8]

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

◆ pickleReaction() [7/8]

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

◆ pickleReaction() [8/8]

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

◆ reactionFromPickle() [1/4]

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

Definition at line 93 of file ReactionPickler.h.

◆ reactionFromPickle() [2/4]

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

constructs a reaction from a pickle stored in a string

◆ reactionFromPickle() [3/4]

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

Definition at line 101 of file ReactionPickler.h.

◆ reactionFromPickle() [4/4]

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

constructs a reaction from a pickle stored in a stream

Member Data Documentation

◆ endianId

const std::int32_t RDKit::ReactionPickler::endianId
static

mark the endian-ness of the pickle

Definition at line 46 of file ReactionPickler.h.

◆ versionMajor

const std::int32_t RDKit::ReactionPickler::versionMajor
static

mark the pickle version

Definition at line 43 of file ReactionPickler.h.

◆ versionMinor

const std::int32_t RDKit::ReactionPickler::versionMinor
static

mark the pickle version

Definition at line 44 of file ReactionPickler.h.

◆ versionPatch

const std::int32_t RDKit::ReactionPickler::versionPatch
static

mark the pickle version

Definition at line 45 of file ReactionPickler.h.

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