gov.nih.ncats.molwitch.cdk

Class CdkChemicalInchiImplFactory

java.lang.Object

gov.nih.ncats.molwitch.cdk.CdkChemicalInchiImplFactory

All Implemented Interfaces:

gov.nih.ncats.molwitch.spi.InchiImplFactory

public class CdkChemicalInchiImplFactory
extends Object
implements gov.nih.ncats.molwitch.spi.InchiImplFactory

Constructor Summary

Constructors

Constructor and Description
CdkChemicalInchiImplFactory()

Method Summary

Modifier and Type	Method and Description
gov.nih.ncats.molwitch.inchi.InChiResult	asStdInchi(gov.nih.ncats.molwitch.Chemical chemical, boolean trustCoordinates)
gov.nih.ncats.molwitch.Chemical	parseInchi(String inchi)

Methods inherited from class java.lang.Object

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

Constructor Detail

CdkChemicalInchiImplFactory

public CdkChemicalInchiImplFactory()

Method Detail

asStdInchi

public gov.nih.ncats.molwitch.inchi.InChiResult asStdInchi(gov.nih.ncats.molwitch.Chemical chemical,
                                                           boolean trustCoordinates)
                                                    throws IOException

Specified by:

asStdInchi in interface gov.nih.ncats.molwitch.spi.InchiImplFactory

Throws:

IOException

parseInchi

public gov.nih.ncats.molwitch.Chemical parseInchi(String inchi)
                                           throws IOException

Specified by:

parseInchi in interface gov.nih.ncats.molwitch.spi.InchiImplFactory

Throws:

IOException