Chem.rdChemReactions

Package Chem :: Module rdChemReactions |
[hide private]
[frames] | no frames]

# 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*