Package org.helm.notation2.tools
Class MDLUtils
java.lang.Object
org.helm.notation2.tools.MDLUtils
public final class MDLUtils extends Object
MDLUtils, class to generate MDL for a HELM molecule.
- Author:
- hecht
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Method Summary
Modifier and Type Method Description static StringgenerateMDL(org.helm.notation2.parser.notation.HELM2Notation helm2notation)method to generate MDL for a HELM molecule
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Method Details
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generateMDL
public static String generateMDL(org.helm.notation2.parser.notation.HELM2Notation helm2notation) throws BuilderMoleculeException, org.helm.chemtoolkit.CTKException, NotationException, ChemistryExceptionmethod to generate MDL for a HELM molecule- Parameters:
helm2notation- input HELM2Notation- Returns:
- MDL
- Throws:
BuilderMoleculeException- if the helm molecule can not be builtorg.helm.chemtoolkit.CTKException- general ChemToolKit exception passed to HELMToolKitNotationException- if notation is not validChemistryException- if the Chemistry Engine can not be initialized
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