new MdlRxnWriter()
Writer for RXN 2000 / 3000 format text data.
Use RxnReader.writeData(obj) to save a Kekule.Reaction to MDL V2000 or 3000 text.
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Extends
Methods
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writeData(obj, dataType, format, options) → {Variant}
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Write Kekule object to data.
Parameters:
Name Type Description obj
Kekule.ChemObject Object to write dataType
String Type of data, value should fom Kekule.IO.ChemDataType. format
String Format ID. options
Hash Additional options to write data. Different writer may have different options. - Inherited From:
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Returns:
Data output, the type of data is decided by dataType param.- Type
- Variant