Open Babel: Class Members

Here is a list of all class members with links to the classes they belong to:

- s -

SaveUniqueRing() : OBRingSearch
Score() : OBConformerScore , OBEnergyConformerScore
score : OBScoreGrid
Score() : OBRMSDConformerScore
Search() : OBConformerSearch
second : quad< T1, T2, T3, T4 > , triple< T1, T2, T3 >
second_type : triple< T1, T2, T3 > , quad< T1, T2, T3, T4 >
Seed() : OBRandom
seekdata : FptIndex
seekoff() : FilteringInputStreambuf< Extractor >
seekpos() : FilteringInputStreambuf< Extractor >
SelectRootAtoms() : OBAromaticTyper
Separate() : OBMol
Set() : OBBond , OBRotor , matrix3x3 , vector3
SetAccuracy() : OBSpectrophore
SetAlias() : AliasData
SetAliasMode() : OBDepict
SetAlphaOrbitals() : OBOrbitalData
SetAngle() : OBTorsion , OBAngle
SetAntiClockwiseStereo() : OBAtom
SetAromatic() : OBAtom , OBBond
SetAromaticCorrected() : OBMol
SetAromaticPerceived() : OBMol
SetAtom() : OBExternalBond
SetAtom4Refs() : OBChiralData
SetAtomicNum() : OBAtom
SetAtomID() : OBResidue
SetAtoms() : OBAngle
SetAtomTypesPerceived() : OBMol
SetAttribute() : OBGenericData
SetAutomaticFormalCharge() : OBMol
SetAutomaticPartialCharge() : OBMol
SetAuxConv() : OBConversion
SetBaseCoordinateSets() : OBRotamerList
SetBegin() : OBBond
SetBetaOrbitals() : OBOrbitalData
SetBit() : OBFingerprint
SetBitOff() : OBBitVec
SetBitOn() : OBBitVec
SetBO() : OBBond
SetBond() : OBExternalBond , OBRotor
SetBondColor() : OBDepict
SetBondLength() : OBDepict
SetBondOrder() : OBBond
SetBondSpacing() : OBDepict
SetBondWidth() : OBDepict
SetChain() : OBResidue
SetChainNum() : OBResidue
SetChainsPerceived() : OBMol
SetChiral() : OBAtom
SetChiralityPerceived() : OBMol
SetClockwiseStereo() : OBAtom
SetClosure() : OBBond
SetClosureBondsPerceived() : OBMol
SetCoeff() : OBNasaThermoData
SetColor() : AliasData
SetColumn() : matrix3x3
SetComment() : OBReaction
SetConfig() : OBCisTransStereo , OBSquarePlanarStereo , OBTetrahedralStereo
SetConformer() : OBMol
SetConformers() : OBForceField , OBMol
SetConstraints() : OBForceField
SetConvergence() : OBConformerSearch
SetCoordinates() : OBForceField , OBMol
SetCoordPtr() : OBAtom
SetCorrectedForPH() : OBMol
SetCurrentCoordinates() : OBRotamerList
SetData() : OBBase , OBCommentData , OBExternalBondData , OBSetData , OBRingData , OBUnitCell , OBConformerData , OBSymmetryData , OBTorsion , OBTorsionData , OBAngleData , OBSerialNums , OBVibrationData , OBDOSData , OBOrbital , OBElectronicTransitionData , OBRotationData , OBVectorData , OBMatrixData
SetDelta() : OBRotorRule , OBRotor
SetDihedralAtoms() : OBRotor
SetDimension() : OBConformerData , OBMol
SetDisplacements() : OBConformerData
SetDown() : OBBond
SetEDipole() : OBElectronicTransitionData
SetEfficiency() : OBRateData
SetElectrostaticCutOff() : OBForceField
SetEnd() : OBBond
SetEnergies() : OBConformerData , OBMol
SetEnergy() : OBMol
SetEnvironmentVariable() : OBGlobalDataBase
SetEvalAtoms() : OBRotorList , OBRotor
SetFactor() : OBFFConstraints
SetFilename() : OBRotorRules
SetFillColor() : OBPainter
SetFilter() : OBConformerSearch
SetFirstInput() : OBConversion
SetFixAtom() : OBForceField
SetFixAtoms() : OBRotorList
SetFixedAtoms() : OBRotor
SetFixedBonds() : OBConformerSearch , OBRotor , OBRotorList
SetFlag() : OBAtom , OBBond , OBMol
SetFlags() : OBFingerprint , OBMol
SetFontFamily() : OBDepict , OBPainter
SetFontSize() : OBDepict , OBPainter
SetForces() : OBConformerData
SetFormalCharge() : OBAtom
SetFormalCharges() : OBForceField
SetFormula() : OBMol
SetFromType() : OBTypeTable
SetGradient() : OBForceField
SetGridType() : OBProxGrid
SetHallName() : SpaceGroup
SetHash() : OBBond
SetHetAtom() : OBResidue
SetHiT() : OBNasaThermoData
SetHMName() : SpaceGroup
SetHOMO() : OBOrbitalData
SetHyb() : OBAtom
SetHybAndGeom() : OBAtom
SetHybridizationPerceived() : OBMol
SetHydrogensAdded() : OBMol
SetId() : OBAtom , OBBond , SpaceGroup
SetIdx() : OBAtom , OBBond , OBExternalBond , OBResidue , OBRotor
SetIgnoreAtom() : OBForceField
SetImplicitValence() : OBAtom
SetImplicitValencePerceived() : OBMol
SetInAndOutFormats() : OBConversion
SetInFormat() : OBConversion
SetInRing() : OBAtom , OBBond
SetInStream() : OBConversion
SetInternalCoord() : OBMol
SetIsotope() : OBAtom
SetIsPatternStructure() : OBMol
SetKDouble() : OBBond
SetKeepRings() : OBBuilder
SetKekulePerceived() : OBMol
SetKSingle() : OBBond
SetKTriple() : OBBond
SetLast() : OBConversion
SetLatticeType() : OBUnitCell
SetLength() : OBBond
SetLimits() : OBFloatGrid , OBGridData
SetLineSearchType() : OBForceField
SetLocale() : OBLocale
SetLogFile() : OBForceField
SetLogLevel() : OBForceField
SetLoRate() : OBRateData
SetLoT() : OBNasaThermoData
SetLSSRPerceived() : OBMol
SetMaxLogEntries() : OBMessageHandler
SetMidT() : OBNasaThermoData
SetMoreFilesToCome() : OBConversion
SetMutability() : OBConformerSearch
SetName() : OBResidue
SetNegativeStereo() : OBAtom
SetNormalization() : OBSpectrophore
SetNum() : OBResidue
SetNumberOfPoints() : OBGridData , OBFloatGrid
SetNumChildren() : OBConformerSearch
SetNumConformers() : OBConformerSearch
SetNumCoords() : OBRotor
SetNumSymmetries() : OBGridData
SetOffset() : OBUnitCell
SetOneObjectOnly() : OBConversion
SetOpenShell() : OBOrbitalData
SetOption() : OBDepict
SetOptions() : OBConversion
SetOrigin() : OBGenericData
SetOutFormat() : OBConversion
SetOutputIndex() : OBConversion
SetOutputLevel() : OBMessageHandler
SetOutputStream() : OBMessageHandler
SetOutStream() : OBConversion
SetParameterFile() : OBForceField
SetParent() : OBRing , OBAtom , OBBond
SetPartialCharge() : OBAtom
SetPartialCharges() : OBForceField
SetPartialChargesPerceived() : OBMol
SetPenColor() : OBPainter
SetPenWidth() : OBDepict , OBPainter
SetPhase() : OBNasaThermoData
SetPointGroup() : OBSymmetryData
SetPositiveStereo() : OBAtom
SetQuiet() : OBRotorList
SetRangeOff() : OBBitVec
SetRangeOn() : OBBitVec
SetRate() : OBRateData
SetReadDirectory() : OBGlobalDataBase
SetRef() : OBAlign
SetRefMol() : OBAlign
SetResidue() : OBAtom
SetResName() : OBResidueData
SetResolution() : OBSpectrophore
SetReversible() : OBReaction
SetRingAtomsAndBondsPerceived() : OBMol
SetRingTypesPerceived() : OBMol
SetRotAtoms() : OBRotor , OBRotorList
SetRotAtomsByFix() : OBRotorList
SetRotatoryStrengthsLength() : OBElectronicTransitionData
SetRotatoryStrengthsVelocity() : OBElectronicTransitionData
SetRotor() : OBRotor
SetRow() : matrix3x3
SetScore() : OBConformerSearch
SetSerialNum() : OBResidue
SetSource() : FilteringInputStreambuf< Extractor >
SetSpaceGroup() : OBSymmetryData , OBUnitCell
SetSpecified() : OBStereoBase
SetSpinMultiplicity() : OBAtom
SetSpinMultiplicityAssigned() : OBMol
SetSSSRPerceived() : OBMol
SetStartAndEnd() : OBConversion
SetStereo() : OBSpectrophore
SetTarget() : OBAlign
SetTargetMol() : OBAlign
SetText() : OBText
SetTimeout() : OBIsomorphismMapper
SetTitle() : OBMol , OBReaction , OBMol , OBBase
SetToAngle() : OBRotor
SetTorsion() : OBMol
SetTorsionValues() : OBRotor
SetTotalCharge() : OBMol
SetTotalSpinMultiplicity() : OBMol
SetToType() : OBTypeTable
SetTransitionState() : OBReaction
SetTroeParams() : OBRateData
SetType() : OBAtom , OBScoreGrid , OBAtom , OBRing
SetTypes() : OBForceField
SetUnit() : OBGridData
SetUnrestricted() : OBGridData
Setup() : OBScoreGrid
SetUp() : OBBond
Setup() : OBFFConstraints , OBProxGrid , OBScoreGrid , OBPointGroup , OBRotamerList , OBRotorList , OBForceField , OBScoreGrid , OBConformerSearch , OBProxGrid
SetupAtomMatchTable() : OBSmartsMatcher
SetupCalculations() : OBForceField
SetUpdateFrequency() : OBForceField
SetupPointers() : OBFFCalculation3 , OBFFCalculation4 , OBForceField , OBFFCalculation2
SetupReader() : XMLConversion
SetupRotMat() : matrix3x3
SetupWriter() : XMLConversion
SetVals() : OBFloatGrid
SetValue() : OBPairData , OBFloatGrid , OBPairTemplate< ValueT > , OBGridData
SetValues() : OBGridData , GasteigerState
SetVDWCutOff() : OBForceField
SetVector() : OBAtom
SetVelocities() : OBConformerData
SetVerbose() : OBScoreGrid
SetWedge() : OBBond
SetWedgeOrHash() : OBBond
SetX() : vector3
SetXAxis() : OBFloatGrid
SetY() : vector3
SetYAxis() : OBFloatGrid
SetZ() : vector3
SetZAxis() : OBFloatGrid
Shape : OBStereo
shape : OBSquarePlanarStereo::Config , OBCisTransStereo::Config
Shape4 : OBStereo
ShapeU : OBStereo
ShapeZ : OBStereo
Simple : LineSearchType
Single : OBSmartsPattern
Size() : OBRing , OBRotor
size() : OBAtomClassData
Size() : OBFFConstraints , OBRotorList
SkipObjects() : OBFormat , XMLBaseFormat
SkipXML() : XMLConversion
Sleep() : DLHandler
SmallestBondAngle() : OBAtom
SMARTSError() : OBSmartsPattern
SMARTSParser() : OBSmartsPattern
SortByIndex() : OBAngle
SortRings() : OBRingSearch
SpaceGroup() : SpaceGroup
SpecificationURL() : OBFormat
specified : OBCisTransStereo::Config , OBTetrahedralStereo::Config , OBSquarePlanarStereo::Config
Sqrt() : OBSqrtTbl
SquarePlanar : OBStereo
src : BondSpec
SRI : OBRateData
Start() : OBStopwatch
start_kekulize() : OBMol
StartErrorWrap() : OBMessageHandler
StartLogging() : OBMessageHandler
StartNumber : OBConversion
SteepestDescent() : OBForceField
SteepestDescentInitialize() : OBForceField
SteepestDescentTakeNSteps() : OBForceField
StereoFlag : OBAtom , OBBond
StereoOption : OBSpectrophore
StopErrorWrap() : OBMessageHandler
StopLogging() : OBMessageHandler
StripSalts() : OBMol
Sum : OBConformerScore
SupportedInputFormat : OBConversion
SupportedOutputFormat : OBConversion
Swap() : OBBuilder
SYMMETRIC : OBRotationData
SymNum : OBRotationData
sync() : FilteringInputStreambuf< Extractor > , obLogBuf
SystematicRotorSearch() : OBForceField
SystematicRotorSearchInitialize() : OBForceField
SystematicRotorSearchNextConformer() : OBForceField