Package Chem :: Module rdChemReactions

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(...)
ReactionFromRxnBlock( (str)arg1) -> ChemicalReaction :...

source code

ReactionFromRxnFile(...)
ReactionFromRxnFile( (str)arg1) -> ChemicalReaction :...

source code

ReactionFromSmarts(...)
ReactionFromSmarts( (str)arg1) -> ChemicalReaction :...

source code

Function Details

[hide private]

ReactionFromRxnBlock(...)

source code


ReactionFromRxnBlock( (str)arg1) -> ChemicalReaction :
    construct a ChemicalReaction from an string in MDL rxn format

    C++ signature :
        RDKit::ChemicalReaction* ReactionFromRxnBlock(std::string)

ReactionFromRxnFile(...)

source code


ReactionFromRxnFile( (str)arg1) -> ChemicalReaction :
    construct a ChemicalReaction from an MDL rxn file

    C++ signature :
        RDKit::ChemicalReaction* ReactionFromRxnFile(std::string)

ReactionFromSmarts(...)

source code


ReactionFromSmarts( (str)arg1) -> ChemicalReaction :
    construct a ChemicalReaction from a reaction SMARTS string

    C++ signature :
        RDKit::ChemicalReaction* ReactionFromSmarts(std::string)