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RDKit
Open-source cheminformatics and machine learning.
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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 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 std::int32_t | versionMajor |
mark the pickle version More... | |
static const std::int32_t | versionMinor |
mark the pickle version More... | |
static const std::int32_t | versionPatch |
mark the pickle version More... | |
static const std::int32_t | endianId |
mark the endian-ness of the pickle More... | |
handles pickling (serializing) reactions
Definition at line 41 of file ReactionPickler.h.
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 | |
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VERSION | |
BEGINREACTANTS | |
ENDREACTANTS | |
BEGINPRODUCTS | |
ENDPRODUCTS | |
BEGINAGENTS | |
ENDAGENTS | |
ENDREACTION | |
BEGINPROPS | |
ENDPROPS | |
BEGINSSSPARAMS | |
ENDSSSPARAMS |
Definition at line 51 of file ReactionPickler.h.
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inlinestatic |
Definition at line 70 of file ReactionPickler.h.
References pickleReaction().
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inlinestatic |
Definition at line 73 of file ReactionPickler.h.
References pickleReaction().
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inlinestatic |
Definition at line 81 of file ReactionPickler.h.
References pickleReaction().
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inlinestatic |
Definition at line 84 of file ReactionPickler.h.
References pickleReaction().
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pickles a reaction and sends the results to stream ss
Referenced by pickleReaction().
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pickles a reaction and adds the results to string res
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inlinestatic |
Definition at line 93 of file ReactionPickler.h.
References RDKit::EnumerationStrategyPickler::pickle(), and reactionFromPickle().
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constructs a reaction from a pickle stored in a string
Referenced by reactionFromPickle().
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inlinestatic |
Definition at line 101 of file ReactionPickler.h.
References reactionFromPickle().
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constructs a reaction from a pickle stored in a stream
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mark the endian-ness of the pickle
Definition at line 46 of file ReactionPickler.h.
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mark the pickle version
Definition at line 43 of file ReactionPickler.h.
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mark the pickle version
Definition at line 44 of file ReactionPickler.h.
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mark the pickle version
Definition at line 45 of file ReactionPickler.h.