A C D E F G H I K M N P Q R S T W

A

AbstractMdlWriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

AbstractMdlWriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.AbstractMdlWriterFactory

accepts(Class<? extends IChemObject>) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

addAtom(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addAtom(Atom) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addAtom(Isotope) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addAtomByAtomicNum(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addBond(Bond) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addBond(Atom, Atom, Bond.BondType) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addChemical(ChemicalImpl<CdkChemicalImpl>) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

addChemObjectIOListener(IChemObjectIOListener) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

addImplicitHydrogens(IAtomContainer) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

Copied from CDK CDKTestCase.java adds implicit hydrogens to given container.

addSetting(IOSetting) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

addSettings(Collection<IOSetting>) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

addSgroup(SGroup.SGroupType) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

aromatize() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

asStdInchi(Chemical, boolean) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalInchiImplFactory

C

CdkAtom - Class in gov.nih.ncats.molwitch.cdk

CdkAtom(IAtom, CdkChemicalImpl) - Constructor for class gov.nih.ncats.molwitch.cdk.CdkAtom

CdkBond - Class in gov.nih.ncats.molwitch.cdk

CdkBond(IBond, CdkChemicalImpl) - Constructor for class gov.nih.ncats.molwitch.cdk.CdkBond

CdkChemical2FactoryImpl - Class in gov.nih.ncats.molwitch.cdk

CdkChemical2FactoryImpl() - Constructor for class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

CdkChemicalImpl - Class in gov.nih.ncats.molwitch.cdk

CdkChemicalImpl(IAtomContainer, Supplier<? extends ChemicalSource>) - Constructor for class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

CdkChemicalImpl(IAtomContainer, ChemicalSource) - Constructor for class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

CdkChemicalInchiImplFactory - Class in gov.nih.ncats.molwitch.cdk

CdkChemicalInchiImplFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.CdkChemicalInchiImplFactory

CdkChemicalWriter - Class in gov.nih.ncats.molwitch.cdk.writer

CdkChemicalWriter(IChemObjectWriter) - Constructor for class gov.nih.ncats.molwitch.cdk.writer.CdkChemicalWriter

CdkGraphInvariant - Class in gov.nih.ncats.molwitch.cdk

CdkGraphInvariant(long[]) - Constructor for class gov.nih.ncats.molwitch.cdk.CdkGraphInvariant

CdkMolWitchModule - Class in gov.nih.ncats.molwitch.cdk

CdkMolWitchModule() - Constructor for class gov.nih.ncats.molwitch.cdk.CdkMolWitchModule

CdkSmilesWriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

CdkSmilesWriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.CdkSmilesWriterFactory

CdkWriterOptionUtils - Class in gov.nih.ncats.molwitch.cdk.writer

CdkWriterOptionUtils() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.CdkWriterOptionUtils

ChemObjectWriterAdapter<T extends org.openscience.cdk.interfaces.IChemObject> - Class in gov.nih.ncats.molwitch.cdk.writer

ChemObjectWriterWrapper - Interface in gov.nih.ncats.molwitch.cdk.writer

close() - Method in class gov.nih.ncats.molwitch.cdk.writer.CdkChemicalWriter

close() - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

connectedComponents() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

create(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(byte[], int, int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(String, InputStreamSupplier) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(InputStreamSupplier) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(String, InputStream) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(String, File) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(File) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(InputStream) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

create(BufferedReader, IResourceFormat) - Static method in class gov.nih.ncats.molwitch.cdk.ReaderFactory

create(OutputStream) - Method in class gov.nih.ncats.molwitch.cdk.writer.AbstractMdlWriterFactory

create(IChemObjectWriter, Function<T, T>) - Static method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

create(OutputStream) - Method in class gov.nih.ncats.molwitch.cdk.writer.Mdl2000WriterFactory

create(OutputStream) - Method in class gov.nih.ncats.molwitch.cdk.writer.Mdl3000WriterFactory

createDefaultFingerprinter() - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

createFingerPrinterFor(Fingerprinters.FingerprintSpecification) - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.EcfpFingerPrinter

createFingerPrinterFor(Fingerprinters.FingerprintSpecification) - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

createFromSmarts(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

createFromSmiles(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

createManipulatedContainer(ChemFormat.ChemFormatWriterSpecification, IAtomContainer) - Static method in class gov.nih.ncats.molwitch.cdk.writer.CdkWriterOptionUtils

createManipulatedContainer(ChemFormat.ChemFormatWriterSpecification, IAtomContainer, boolean) - Static method in class gov.nih.ncats.molwitch.cdk.writer.CdkWriterOptionUtils

createNewEmptyChemical() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

D

deepCopy() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

E

EcfpFingerPrinter - Class in gov.nih.ncats.molwitch.cdk.fingerprinters

EcfpFingerPrinter() - Constructor for class gov.nih.ncats.molwitch.cdk.fingerprinters.EcfpFingerPrinter

equals(Object) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

equals(Object) - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

expandSGroups() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

ExtendedFingerPrinter - Class in gov.nih.ncats.molwitch.cdk.fingerprinters

ExtendedFingerPrinter() - Constructor for class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

F

flipChirality(Stereocenter) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

G

generateCoordinates() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getAlias() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getAtom(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getAtom1() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getAtom2() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getAtomCoordinates() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getAtomCount() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getAtomicNumber() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getAtomIndexInParent() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getAtomInvariantValue(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkGraphInvariant

getAtomToAtomMap() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getBond(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getBondCount() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getBonds() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getBondTable() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getBondType() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getCharge() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getChirality() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getContainer() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getDoubleBondStereo() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getDoubleBondStereochemistry() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getExactMass() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getExtendedTetrahedrals() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getFormat() - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getFormula() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getFormula(boolean) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getGraphInvariant() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getIAtomFor(Atom) - Static method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getIBondFor(Bond) - Static method in class gov.nih.ncats.molwitch.cdk.CdkBond

getImplicitHCount() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getIOSettings() - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getListeners() - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getMass() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getMassNumber() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getName() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getName() - Method in class gov.nih.ncats.molwitch.cdk.CdkMolWitchModule

getNumberOfAtoms() - Method in class gov.nih.ncats.molwitch.cdk.CdkGraphInvariant

getOtherAtom(Atom) - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getProperty(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getRadical() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getRadicalValue() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getRGroupIndex() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getSetting(String) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getSetting(String, Class<S>) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getSettings() - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

getSGroupCount() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getSGroups() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getSmallestRingSize() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getSmallestRingSize() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getSource() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getStereo() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

getSupportedAlgorithmNames() - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.EcfpFingerPrinter

getSupportedAlgorithmNames() - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

getSymbol() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getTetrahedrals() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

getValence() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

getWrappedObject() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

Get the IAtomContainer.

gov.nih.ncats.molwitch.cdk - package gov.nih.ncats.molwitch.cdk

gov.nih.ncats.molwitch.cdk.fingerprinters - package gov.nih.ncats.molwitch.cdk.fingerprinters

gov.nih.ncats.molwitch.cdk.writer - package gov.nih.ncats.molwitch.cdk.writer

guessReaderFor(BufferedReader) - Static method in class gov.nih.ncats.molwitch.cdk.ReaderFactory

Get the file format for the contents of the given BufferedReader and return the appropriate IIteratingChemObjectReader for that format.

H

has2DCoordinates() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

has3DCoordinates() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

hasAromaticBond() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

hasCoordinates() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

hashCode() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

hashCode() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

hasImplicitHydrogens() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

hasNext() - Method in class gov.nih.ncats.molwitch.cdk.IdAwareSdfReader

hasSetting(String) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

hasSGroups() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

hasValenceError() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

I

IdAwareSdfReader - Class in gov.nih.ncats.molwitch.cdk

And SDF/ Mol parser file parser that uses the first line in the header record as the ID.

IdAwareSdfReader(BufferedReader, IChemObjectBuilder) - Constructor for class gov.nih.ncats.molwitch.cdk.IdAwareSdfReader

indexOf(Atom) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

indexOf(Bond) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

isAromatic() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

isAromatic() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

isAtomCompatible(int, int) - Method in class gov.nih.ncats.molwitch.cdk.CdkGraphInvariant

isDefault() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

isDefault() - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.EcfpFingerPrinter

isDefault() - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

isFormatAgnostic() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

isInRing() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

isInRing() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

isIsotope() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

isQueryAtom() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

isQueryBond() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

isRGroupAtom() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

isValidAtomicSymbol() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

K

kekulize() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

M

makeHydrogensExplicit() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

makeHydrogensImplicit() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

mark(int) - Method in class gov.nih.ncats.molwitch.cdk.ProgramClearingMol2000Wrapper

markSupported() - Method in class gov.nih.ncats.molwitch.cdk.ProgramClearingMol2000Wrapper

Mdl2000WriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

Mdl2000WriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.Mdl2000WriterFactory

Mdl3000WriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

Mdl3000WriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.Mdl3000WriterFactory

N

newInstance(OutputStream, ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.AbstractMdlWriterFactory

newInstance(OutputStream, ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.CdkSmilesWriterFactory

newInstance(OutputStream, ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.SdfWriterFactory

newInstance(OutputStream, ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.SmartsChemicalWriterFactory

next() - Method in class gov.nih.ncats.molwitch.cdk.IdAwareSdfReader

P

parseInchi(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalInchiImplFactory

percieve(IAtomContainer) - Static method in class gov.nih.ncats.molwitch.cdk.QueryAtomPerceptor

prepareForBuild(ChemicalImpl.PreparationOptions) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

ProgramClearingMol2000Wrapper - Class in gov.nih.ncats.molwitch.cdk

ProgramClearingMol2000Wrapper(Reader) - Constructor for class gov.nih.ncats.molwitch.cdk.ProgramClearingMol2000Wrapper

properties() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

Q

QueryAtomPerceptor - Class in gov.nih.ncats.molwitch.cdk

QueryAtomPerceptor() - Constructor for class gov.nih.ncats.molwitch.cdk.QueryAtomPerceptor

R

ReaderFactory - Class in gov.nih.ncats.molwitch.cdk

A Factory class for making IIteratingChemObjectReaders.

ReaderFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.ReaderFactory

readLine() - Method in class gov.nih.ncats.molwitch.cdk.ProgramClearingMol2000Wrapper

removeAtom(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeAtom(Atom) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeBond(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeBond(Bond) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeBond(Atom, Atom) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeChemObjectIOListener(IChemObjectIOListener) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

removeProperty(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

removeSGroup(SGroup) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

reset() - Method in class gov.nih.ncats.molwitch.cdk.ProgramClearingMol2000Wrapper

S

SdfWriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

SdfWriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.SdfWriterFactory

setAlias(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setAtomCoordinates(AtomCoordinates) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setAtomicNumber(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setAtomToAtomMap(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setBondType(Bond.BondType) - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

setCharge(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setChirality(Chirality) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setImplicitHCount(Integer) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setImplicitHydrogens() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

setImplicitHydrogens(IAtom) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

setMassNumber(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setName(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

setProperty(String, String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

setRadical(int) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setRGroup(Integer) - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

setStereo(Bond.Stereo) - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

setWriter(Writer) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

setWriter(OutputStream) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

shallowCopy() - Method in class gov.nih.ncats.molwitch.cdk.CdkChemicalImpl

SingleCdkChemicalWriter - Class in gov.nih.ncats.molwitch.cdk.writer

SingleCdkChemicalWriter(IChemObjectWriter) - Constructor for class gov.nih.ncats.molwitch.cdk.writer.SingleCdkChemicalWriter

SmartsChemicalWriterFactory - Class in gov.nih.ncats.molwitch.cdk.writer

Created by katzelda on 7/15/19.

SmartsChemicalWriterFactory() - Constructor for class gov.nih.ncats.molwitch.cdk.writer.SmartsChemicalWriterFactory

supports(String) - Method in class gov.nih.ncats.molwitch.cdk.CdkChemical2FactoryImpl

supports(Fingerprinters.FingerprintSpecification) - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.EcfpFingerPrinter

supports(Fingerprinters.FingerprintSpecification) - Method in class gov.nih.ncats.molwitch.cdk.fingerprinters.ExtendedFingerPrinter

supports(ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.AbstractMdlWriterFactory

supports(ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.CdkSmilesWriterFactory

supports(ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.SdfWriterFactory

supports(ChemFormat.ChemFormatWriterSpecification) - Method in class gov.nih.ncats.molwitch.cdk.writer.SmartsChemicalWriterFactory

supportsVersion(ChemFormat.MolFormatSpecification.Version) - Method in class gov.nih.ncats.molwitch.cdk.writer.AbstractMdlWriterFactory

supportsVersion(ChemFormat.MolFormatSpecification.Version) - Method in class gov.nih.ncats.molwitch.cdk.writer.Mdl2000WriterFactory

supportsVersion(ChemFormat.MolFormatSpecification.Version) - Method in class gov.nih.ncats.molwitch.cdk.writer.Mdl3000WriterFactory

switchParity() - Method in class gov.nih.ncats.molwitch.cdk.CdkBond

T

toString() - Method in class gov.nih.ncats.molwitch.cdk.CdkAtom

W

write(ChemicalImpl) - Method in class gov.nih.ncats.molwitch.cdk.writer.CdkChemicalWriter

write(IChemObject) - Method in class gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterAdapter

write(IAtomContainer, boolean) - Method in interface gov.nih.ncats.molwitch.cdk.writer.ChemObjectWriterWrapper

write(ChemicalImpl) - Method in class gov.nih.ncats.molwitch.cdk.writer.SingleCdkChemicalWriter

A C D E F G H I K M N P Q R S T W