Package rdkit :: Package Chem :: Module rdSLNParse

Module rdSLNParse

Module containing classes and functions for working with Sybyl line notation (SLN).

Functions

[hide private]

MolFromQuerySLN(...)
MolFromQuerySLN( (str)SLN [, (bool)mergeHs=True [, (bool)debugParser=False]]) -> Mol : Construct a query molecule from an SLN string.

MolFromSLN(...)
MolFromSLN( (str)SLN [, (bool)sanitize=True [, (bool)debugParser=False]]) -> Mol : Construct a molecule from an SLN string.

Variables

[hide private]

__package__ = None
hash(x)

Function Details

[hide private]

MolFromQuerySLN(...)


MolFromQuerySLN( (str)SLN [, (bool)mergeHs=True [, (bool)debugParser=False]]) -> Mol :
    Construct a query molecule from an SLN string.
    
      ARGUMENTS:
    
        - SLN: the SLN string
    
        - mergeHs: (optional) toggles the merging of explicit Hs in the query into the attached
          heavy atoms. Defaults to False.
    
      RETURNS:
    
        a Mol object suitable for using in substructure queries, None on failure.
    
    

    C++ signature :
        RDKit::ROMol* MolFromQuerySLN(std::string [,bool=True [,bool=False]])

MolFromSLN(...)


MolFromSLN( (str)SLN [, (bool)sanitize=True [, (bool)debugParser=False]]) -> Mol :
    Construct a molecule from an SLN string.
    
        ARGUMENTS:
    
        - SLN: the SLN string
    
        - sanitize: (optional) toggles sanitization of the molecule.
          Defaults to True.
    
      RETURNS:
    
        a Mol object, None on failure.
    
      NOTE: the SLN should not contain query information or properties. To build a
        query from SLN, use MolFromQuerySLN.
    
    

    C++ signature :
        RDKit::ROMol* MolFromSLN(std::string [,bool=True [,bool=False]])