IndigoObject |
IndigoObject.addAtom(String symbol) |
IndigoObject |
IndigoObject.addBond(IndigoObject atom,
int order) |
IndigoObject |
IndigoObject.addDataSGroup(Collection<Integer> atoms,
Collection<Integer> bonds,
String description,
String data) |
IndigoObject |
IndigoObject.addDataSGroup(int[] atoms,
int[] bonds,
String description,
String data) |
IndigoObject |
IndigoObject.addRSite(String name) |
IndigoObject |
IndigoObject.allScaffolds() |
IndigoObject |
IndigoObject.at(int idx) |
IndigoObject |
IndigoObject.bond() |
IndigoObject |
IndigoObject.clone() |
IndigoObject |
IndigoObject.component(int index) |
IndigoObject |
Indigo.createArray() |
IndigoObject |
Indigo.createDecomposer(IndigoObject scaffold) |
IndigoObject |
IndigoObject.createEdgeSubmolecule(Collection<Integer> vertices,
Collection<Integer> edges) |
IndigoObject |
IndigoObject.createEdgeSubmolecule(int[] vertices,
int[] edges) |
IndigoObject |
Indigo.createFileSaver(String filename,
String format) |
IndigoObject |
Indigo.createMolecule() |
IndigoObject |
Indigo.createQueryMolecule() |
IndigoObject |
Indigo.createQueryReaction() |
IndigoObject |
Indigo.createReaction() |
IndigoObject |
Indigo.createSaver(IndigoObject output,
String format) |
IndigoObject |
IndigoObject.createSGroup(String type,
IndigoObject mapping,
String name) |
IndigoObject |
IndigoObject.createSubmolecule(Collection<Integer> vertices) |
IndigoObject |
IndigoObject.createSubmolecule(int[] vertices) |
IndigoObject |
IndigoObject.decomposedMoleculeHighlighted() |
IndigoObject |
IndigoObject.decomposedMoleculeScaffold() |
IndigoObject |
IndigoObject.decomposedMoleculeWithRGroups() |
IndigoObject |
IndigoObject.decomposeMolecule(IndigoObject mol) |
IndigoObject |
Indigo.decomposeMolecules(IndigoObject scaffold,
Collection<IndigoObject> structures)
Deprecated.
|
IndigoObject |
Indigo.decomposeMolecules(IndigoObject scaffold,
IndigoObject structures)
Deprecated.
|
IndigoObject |
Indigo.deserialize(byte[] data) |
IndigoObject |
IndigoObject.destination() |
IndigoObject |
Indigo.exactMatch(IndigoObject obj1,
IndigoObject obj2) |
IndigoObject |
Indigo.exactMatch(IndigoObject obj1,
IndigoObject obj2,
String flags) |
IndigoObject |
Indigo.extractCommonScaffold(Collection<IndigoObject> structures,
String options) |
IndigoObject |
Indigo.extractCommonScaffold(IndigoObject structures,
String options) |
IndigoObject |
IndigoObject.findSGroups(String property,
String value) |
IndigoObject |
IndigoObject.fingerprint() |
IndigoObject |
IndigoObject.fingerprint(String type) |
IndigoObject |
IndigoObject.getAtom(int idx) |
IndigoObject |
IndigoObject.getBond(int idx) |
IndigoObject |
IndigoObject.getDataSGroup(int index) |
IndigoObject |
Indigo.getFragmentedMolecule(IndigoObject molecule,
String options) |
IndigoObject |
IndigoObject.getGenericSGroup(int index) |
IndigoObject |
IndigoObject.getMolecule(int idx) |
IndigoObject |
IndigoObject.getMultipleGroup(int index) |
IndigoObject |
IndigoObject.getRepeatingUnit(int index) |
IndigoObject |
IndigoObject.getSubmolecule(Collection<Integer> vertices) |
IndigoObject |
IndigoObject.getSubmolecule(int[] vertices) |
IndigoObject |
IndigoObject.getSuperatom(int index) |
IndigoObject |
IndigoObject.highlightedTarget() |
IndigoObject |
IndigoObject.iterateAlleneCenters() |
IndigoObject |
IndigoObject.iterateArray() |
IndigoObject |
IndigoObject.iterateAtoms() |
IndigoObject |
IndigoObject.iterateAttachmentPoints(int order) |
IndigoObject |
IndigoObject.iterateBonds() |
IndigoObject |
IndigoObject.iterateCatalysts() |
IndigoObject |
Indigo.iterateCDX(IndigoObject reader) |
IndigoObject |
Indigo.iterateCDXFile(String filename) |
IndigoObject |
Indigo.iterateCML(IndigoObject reader) |
IndigoObject |
Indigo.iterateCMLFile(String filename) |
IndigoObject |
IndigoObject.iterateComponents() |
IndigoObject |
IndigoObject.iterateDataSGroups() |
IndigoObject |
IndigoObject.iterateDecomposedMolecules()
Deprecated.
|
IndigoObject |
IndigoObject.iterateDecompositions() |
IndigoObject |
IndigoObject.iterateEdgeSubmolecules(int min_edges,
int max_edges) |
IndigoObject |
IndigoObject.iterateGenericSGroups() |
IndigoObject |
IndigoObject.iterateMatches(IndigoObject query) |
IndigoObject |
IndigoObject.iterateMolecules() |
IndigoObject |
IndigoObject.iterateMultipleGroups() |
IndigoObject |
IndigoObject.iterateNeighbors() |
IndigoObject |
IndigoObject.iterateProducts() |
IndigoObject |
IndigoObject.iterateProperties() |
IndigoObject |
IndigoObject.iteratePseudoatoms() |
IndigoObject |
Indigo.iterateRDF(IndigoObject reader) |
IndigoObject |
Indigo.iterateRDFile(String filename) |
IndigoObject |
IndigoObject.iterateReactants() |
IndigoObject |
IndigoObject.iterateReactions() |
IndigoObject |
IndigoObject.iterateRepeatingUnits() |
IndigoObject |
IndigoObject.iterateRGroupFragments() |
IndigoObject |
IndigoObject.iterateRGroups() |
IndigoObject |
IndigoObject.iterateRings(int min_vertices,
int max_vertices) |
IndigoObject |
IndigoObject.iterateRSites() |
IndigoObject |
Indigo.iterateSDF(IndigoObject reader) |
IndigoObject |
Indigo.iterateSDFile(String filename) |
IndigoObject |
IndigoObject.iterateSGroups() |
IndigoObject |
Indigo.iterateSmiles(IndigoObject reader) |
IndigoObject |
Indigo.iterateSmilesFile(String filename) |
IndigoObject |
IndigoObject.iterateSSSR() |
IndigoObject |
IndigoObject.iterateStereocenters() |
IndigoObject |
IndigoObject.iterateSubtrees(int min_vertices,
int max_vertices) |
IndigoObject |
IndigoObject.iterateSuperatoms() |
IndigoObject |
Indigo.iterateTautomers(IndigoObject molecule,
String params) |
IndigoObject |
IndigoObject.iterateTGroups() |
IndigoObject |
Indigo.loadBuffer(byte[] buf) |
IndigoObject |
Indigo.loadFasta(String str,
String seq_type,
IndigoObject library) |
IndigoObject |
Indigo.loadFastaFromFile(String path,
String seq_type,
IndigoObject library) |
IndigoObject |
Indigo.loadFingerprintFromBuffer(byte[] buf) |
IndigoObject |
Indigo.loadFingerprintFromDescriptors(double[] descriptors,
int size,
double density) |
IndigoObject |
Indigo.loadHelm(String str,
IndigoObject library) |
IndigoObject |
Indigo.loadHelmFromFile(String path,
IndigoObject library) |
IndigoObject |
Indigo.loadIdt(String str,
IndigoObject library) |
IndigoObject |
Indigo.loadIdtFromFile(String path,
IndigoObject library) |
IndigoObject |
Indigo.loadKetDocument(String str) |
IndigoObject |
Indigo.loadKetDocumentFromFile(String path) |
IndigoObject |
Indigo.loadMolecule(byte[] buf) |
IndigoObject |
Indigo.loadMolecule(String str) |
IndigoObject |
Indigo.loadMoleculeFromBuffer(byte[] buf) |
IndigoObject |
Indigo.loadMoleculeFromFile(String path) |
IndigoObject |
Indigo.loadMonomerLibrary(String str) |
IndigoObject |
Indigo.loadMonomerLibraryFromFile(String path) |
IndigoObject |
Indigo.loadQueryMolecule(byte[] buf) |
IndigoObject |
Indigo.loadQueryMolecule(String str) |
IndigoObject |
Indigo.loadQueryMoleculeFromFile(String path) |
IndigoObject |
Indigo.loadQueryReaction(byte[] buf) |
IndigoObject |
Indigo.loadQueryReaction(String str) |
IndigoObject |
Indigo.loadQueryReactionFromFile(String path) |
IndigoObject |
Indigo.loadReaction(byte[] buf) |
IndigoObject |
Indigo.loadReaction(String str) |
IndigoObject |
Indigo.loadReactionFromFile(String path) |
IndigoObject |
Indigo.loadReactionSmarts(byte[] buf) |
IndigoObject |
Indigo.loadReactionSmarts(String str) |
IndigoObject |
Indigo.loadReactionSmartsFromFile(String path) |
IndigoObject |
Indigo.loadSequence(String str,
String seq_type,
IndigoObject library) |
IndigoObject |
Indigo.loadSequenceFromFile(String path,
String seq_type,
IndigoObject library) |
IndigoObject |
Indigo.loadSmarts(byte[] buf) |
IndigoObject |
Indigo.loadSmarts(String str) |
IndigoObject |
Indigo.loadSmartsFromFile(String path) |
IndigoObject |
Indigo.loadString(String string) |
IndigoObject |
Indigo.loadStructure(byte[] buf) |
IndigoObject |
Indigo.loadStructure(byte[] buf,
String params) |
IndigoObject |
Indigo.loadStructure(String str) |
IndigoObject |
Indigo.loadStructure(String str,
String params) |
IndigoObject |
Indigo.loadStructureFromBuffer(byte[] buf) |
IndigoObject |
Indigo.loadStructureFromBuffer(byte[] buf,
String params) |
IndigoObject |
Indigo.loadStructureFromFile(String path) |
IndigoObject |
Indigo.loadStructureFromFile(String path,
String params) |
IndigoObject |
IndigoObject.mapAtom(IndigoObject query_atom) |
IndigoObject |
IndigoObject.mapBond(IndigoObject query_bond) |
IndigoObject |
IndigoObject.mapMolecule(IndigoObject query_reaction_molecule) |
IndigoObject |
IndigoObject.match(IndigoObject query) |
IndigoObject |
IndigoObject.merge(IndigoObject other) |
IndigoObject |
Indigo.nameToStructure(String name) |
IndigoObject |
Indigo.nameToStructure(String name,
String params) |
IndigoObject |
IndigoObject.next() |
IndigoObject |
Indigo.reactionProductEnumerate(IndigoObject reaction,
IndigoObject monomers) |
IndigoObject |
Indigo.reactionProductEnumerate(IndigoObject reaction,
Iterable<Iterable<IndigoObject>> monomers) |
IndigoObject |
IndigoObject.resetAtom(String symbol) |
IndigoObject |
Indigo.rgroupComposition(IndigoObject molecule,
String options) |
IndigoObject |
IndigoObject.setRSite(String name) |
IndigoObject |
IndigoObject.source() |
IndigoObject |
Indigo.substructureMatcher(IndigoObject target) |
IndigoObject |
Indigo.substructureMatcher(IndigoObject target,
String mode) |
IndigoObject |
Indigo.toIndigoArray(Collection<IndigoObject> coll) |
IndigoObject |
Indigo.transform(IndigoObject reaction,
IndigoObject monomer) |
IndigoObject |
Indigo.transformHELMtoSCSR(IndigoObject item) |
IndigoObject |
Indigo.unserialize(byte[] data)
|
IndigoObject |
Indigo.writeBuffer() |
IndigoObject |
Indigo.writeFile(String filename) |