Chem.rdChemReactions

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(...) 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)