Package ambit2.smarts

SMARTS parser

See: Description

Interface Summary

Interface	Description
IAcceptable

Class Summary

Class	Description
AliphaticSymbolQueryAtom
AromaticSymbolQueryAtom
AtomEquivalenceInfo
AtomSmartsNode
BinaryCombinations
ChemObjectFactory	Utilities for generation of different types of chemical objects: molecules, fragments, queries
ChemObjectToSmiles
ChiralPermutations
ClosureBond
CMLUtilities	SMARTSProp is a per atom property & hvnNrrrrrrrrRRRRRRRR extractSMARTSProperties(IAtomContainer mol) setCMLSMARTSProperties(IAtomContainer mol) mol.getAtom(i).setProperty("SMARTSProp", prop); if already set,
ComponentMapping
DoubleBondAromaticityNotSpecified
DoubleBondStereoInfo
DoubleNonAromaticBond
EquivalenceTester
ExtendedChiralityInfo
IsomorphismTester
MappingUtils
Node
NodeExplorer
QuerySequenceElement
RingClosure
RingQueryBond
Screening
ScreeningData
SequenceElement
SingleBondAromaticityNotSpecified
SingleNonAromaticBond
SingleOrAromaticBond
SmartsAtomExpression
SmartsBondExpression
SmartsConst
SmartsExpressionToken
SmartsFingerprinter
SmartsFlags
SmartsHelper
SmartsLogicalExpression
SmartsManager	Implements utilities needed for handling searching with SMARTS utilizing JDK library.
SmartsParser	Implements SMARTS parser
SmartsParserError
SmartsScreeningKeys
SmartsToChemObject
SMIRKSManager
SMIRKSReaction
SMIRKSTransform
StereoChange
StereoChemUtils
StereoChiralAtTransformation
StereoDBTransformation
StereoFromSmartsAtomExpression
StructInfo
StructureSetAnalyzer
SymbolQueryAtomAromaticityNotSpecified
TopLayer
TripleBondAromaticityNotSpecified

Enum Summary

Enum	Description
DoubleBondStereoInfo.DBStereo
SmartsConst.HandleHAtoms
SmartsConst.SSM_MODE
StereoChange.StereoElementType

Package ambit2.smarts Description

SMARTS parser