new MdlStructDataWriter()
Class to write Kekule.Molecule or other molecule list to MDL SD format data.
- Source:
Extends
Methods
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getChildMols(chemObj) → {Array}
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Returns child molecule in parent chemObj. Each child molecule need a block in MDL SD file.
Parameters:
Name Type Description chemObjKekule.ChemObject - Source:
Returns:
- Type
- Array
-
getMolData(mol) → {Hash}
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Returns a hash with all data need to write to SD content.
Parameters:
Name Type Description molKekule.ChemObject - Source:
Returns:
- Type
- Hash
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writeBlock(obj) → {String}
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Write a text block for a suitable object.
Parameters:
Name Type Description objVariant Kekule object to write. - Inherited From:
- Source:
Returns:
Text written.- Type
- String