Skip navigation links
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 
Skip navigation links

Copyright © 2019 NIH/NCATS. All rights reserved.