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Package Chem :: Module rdChemReactions
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Module rdChemReactions



Module containing classes and functions for working with chemical reactions.


Classes [hide private]
  ChemicalReaction
A class for storing and applying chemical reactions.
Functions [hide private]
 
ReactionFromRxnBlock(...)
construct a ChemicalReaction from an string in MDL rxn format...		 source code
 
ReactionFromRxnFile(...)
construct a ChemicalReaction from an MDL rxn file...		 source code
 
ReactionFromSmarts(...)
construct a ChemicalReaction from a reaction SMARTS string...		 source code
Function Details [hide private]

ReactionFromRxnBlock(...)

source code  
construct a ChemicalReaction from an string in MDL rxn format
C++ signature:
    ReactionFromRxnBlock(std::string) -> RDKit::ChemicalReaction*

ReactionFromRxnFile(...)

source code  
construct a ChemicalReaction from an MDL rxn file
C++ signature:
    ReactionFromRxnFile(std::string) -> RDKit::ChemicalReaction*

ReactionFromSmarts(...)

source code  
construct a ChemicalReaction from a reaction SMARTS string
C++ signature:
    ReactionFromSmarts(std::string) -> RDKit::ChemicalReaction*

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