org.helm.notation2.tools

Class HELM1Utils

java.lang.Object

org.helm.notation2.tools.HELM1Utils

public final class HELM1Utils
extends Object

HELM1 class to transform a HELM2 into HELM1; this is only possible in the case of no HELM2 features

Author:

hecht

Method Summary

Methods

Modifier and Type	Method and Description
static String	getCanonical(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to generate from a helm2notation a valid canonical HELM1
static String	getStandard(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to reproduce a standard HELM in HELM1 - Format

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Detail

getStandard

public static String getStandard(org.helm.notation2.parser.notation.HELM2Notation helm2notation)
                          throws HELM1FormatException,
                                 MonomerLoadingException,
                                 org.helm.chemtoolkit.CTKException,
                                 ValidationException,
                                 ChemistryException

method to reproduce a standard HELM in HELM1 - Format

Parameters:

helm2notation - HELM2Notation

Returns:

standard HELM1

Throws:

HELM1FormatException - if HELM2 features are there

org.helm.chemtoolkit.CTKException - general ChemToolKit exception passed to HELMToolKit

MonomerLoadingException - monomers could not be loaded

ValidationException - if a smiles in the HELMNotation is not valid

ChemistryException - if the Chemistry Engine can not be initialized

getCanonical

public static String getCanonical(org.helm.notation2.parser.notation.HELM2Notation helm2notation)
                           throws HELM1FormatException,
                                  ChemistryException

method to generate from a helm2notation a valid canonical HELM1

Parameters:

helm2notation - input HELM2Notation

Returns:

canonical HELM

Throws:

HELM1FormatException - if HELM2 features are there

ChemistryException - if the Chemistry Engine can not be initialized