Class SDFileParser

Constructors

constructor

Methods

getField getFieldData getFieldNames getMolecule getNextFieldData getNextMolFile next

Constructors

constructor

Methods

getField

getFieldData

getFieldNames

  • getFieldNames(recordsToInspect: number): string[]

  • Returns the list of field names for the entire SDF.

    Parameters

    • recordsToInspect: number

      Number of records scanned to determine the list.

    Returns string[]

getMolecule

getNextFieldData

getNextMolFile

next

  • next(): boolean

  • Move to the next Molfile. Returns true if there is one, false otherwise.

    Returns boolean

    Example


    const sdf = fs.readFileSync('./mysdf.sdf', 'utf8');
    const parser = new SDFileParser(sdf);
    while (parser.next()) {
      const molecule = parser.getMolecule();
      // process molecule
    }

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