RDKit
Open-source cheminformatics and machine learning.
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- d -
d :
RDKit::RDTypeTag::detail::Value
D1 :
ForceFields::UFF::AtomicParams
d_active_class_ :
RDKit::MolDraw2D_detail::DrawTextFTSVG
,
RDKit::MolDraw2D_detail::DrawTextSVG
d_activeClass :
RDKit::MolDraw2D
d_angleType :
ForceFields::MMFF::MMFFAngleCollection
d_atomicNum :
ForceFields::MMFF::MMFFCovRadPauEleCollection
,
RDKit::Atom
d_atomIdx :
RDKit::AtomSanitizeException
d_atomIndices :
RDKit::KekulizeException
d_atomType :
ForceFields::MMFF::MMFFVdWCollection
d_beginAtomIdx :
RDKit::Bond
d_bondType :
ForceFields::MMFF::MMFFBondCollection
,
ForceFields::MMFF::MMFFChgCollection
,
RDKit::Bond
d_children :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_chiralTag :
RDKit::Atom
d_contribs :
ForceFields::ForceField
d_countBounds :
RDKit::FingerprintArguments
d_ctrlAtoms :
RDKit::EnumerateStereoisomers::details::AtropisomerFlipper
d_currState :
RDKit::SynthonSpaceSearch::details::Stepper
d_cutoff :
RDMIF::VdWaals
d_data :
RDNumeric::Matrix< TYPE >
,
RDNumeric::SymmMatrix< TYPE >
d_dataFunc :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
,
RDKit::Descriptors::PropertyFunctor
d_dataFuncSameType :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_dataSize :
RDNumeric::Matrix< TYPE >
,
RDNumeric::SymmMatrix< TYPE >
d_density :
RDDepict::EmbeddedAtom
d_description :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_dimension :
ForceFields::ForceField
d_dirTag :
RDKit::Bond
d_distCutoff2 :
RDKit::GaussianShape::SingleConformerAlignment
d_endAtomIdx :
RDKit::Bond
d_explicitValence :
RDKit::Atom
d_fit :
RDKit::GaussianShape::SingleConformerAlignment
d_fitAlphas :
RDKit::GaussianShape::SingleConformerAlignment
d_fitCarbonRadii :
RDKit::GaussianShape::SingleConformerAlignment
d_fitColorVol :
RDKit::GaussianShape::SingleConformerAlignment
d_fitShapeVol :
RDKit::GaussianShape::SingleConformerAlignment
d_fitTemp :
RDKit::GaussianShape::SingleConformerAlignment
d_fitTypes :
RDKit::GaussianShape::SingleConformerAlignment
d_fixedPoints :
ForceFields::ForceField
d_flags :
RDKit::Atom
,
RDKit::Bond
d_formalCharge :
RDKit::Atom
d_fpLength :
RDCatalog::Catalog< entryType, paramType >
d_fpSize :
RDKit::FingerprintArguments
d_fragSetUniquifyMode :
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
d_gradConverters :
RDKit::GaussianShape::SingleConformerAlignment
d_hybrid :
RDKit::Atom
d_iAtomicNum :
ForceFields::MMFF::MMFFBndkCollection
d_iAtomType :
ForceFields::MMFF::MMFFAngleCollection
,
ForceFields::MMFF::MMFFBondCollection
,
ForceFields::MMFF::MMFFChgCollection
,
ForceFields::MMFF::MMFFOopCollection
,
ForceFields::MMFF::MMFFPropCollection
,
ForceFields::MMFF::MMFFStbnCollection
,
ForceFields::MMFF::MMFFTorCollection
d_idx0 :
DistGeom::ChiralSet
d_idx1 :
DistGeom::ChiralSet
d_idx2 :
DistGeom::ChiralSet
d_idx3 :
DistGeom::ChiralSet
d_idx4 :
DistGeom::ChiralSet
D_ij :
ForceFields::UFF::UFFVdW
d_ij :
ForceFields::MMFF::MMFFHerschbachLaurie
d_implicitValence :
RDKit::Atom
d_index :
RDKit::Atom
,
RDKit::Bond
d_initQuatTrans :
RDKit::GaussianShape::SingleConformerAlignment
d_iRow :
ForceFields::MMFF::MMFFHerschbachLaurieCollection
d_isotope :
RDKit::Atom
d_isotopeInfoMap :
RDKit::atomicData
d_jAtomicNum :
ForceFields::MMFF::MMFFBndkCollection
d_jAtomType :
ForceFields::MMFF::MMFFAngleCollection
,
ForceFields::MMFF::MMFFBondCollection
,
ForceFields::MMFF::MMFFChgCollection
,
ForceFields::MMFF::MMFFOopCollection
,
ForceFields::MMFF::MMFFStbnCollection
,
ForceFields::MMFF::MMFFTorCollection
d_jRow :
ForceFields::MMFF::MMFFHerschbachLaurieCollection
d_kAtomType :
ForceFields::MMFF::MMFFAngleCollection
,
ForceFields::MMFF::MMFFOopCollection
,
ForceFields::MMFF::MMFFStbnCollection
,
ForceFields::MMFF::MMFFTorCollection
d_lAtomType :
ForceFields::MMFF::MMFFOopCollection
,
ForceFields::MMFF::MMFFTorCollection
d_line :
RDKit::v2::FileParsers::ForwardSDMolSupplier
d_lower :
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
d_mappedMemory :
RDKit::SynthonSpaceSearch::details::MemoryMappedFileReader
d_matchFunc :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_matSize :
ForceFields::ForceField
d_maxDistance :
RDKit::AtomPair::AtomPairArguments
d_maxIts :
RDKit::GaussianShape::SingleConformerAlignment
d_maxNumRounds :
RDKit::MolEnumerator::RepeatUnitOp
d_maxPath :
RDKit::RDKitFP::RDKitFPArguments
d_metadata :
RDKit::MolDraw2D
d_minDistance :
RDKit::AtomPair::AtomPairArguments
d_minPath :
RDKit::RDKitFP::RDKitFPArguments
d_mixingParam :
RDKit::GaussianShape::SingleConformerAlignment
d_mol :
RDKit::SynthonSpaceSearch::SampleMolRec
,
RDMIF::VdWaals
d_mol1Num :
RDKit::RascalMCES::details::ClusNode
d_mol2Num :
RDKit::RascalMCES::details::ClusNode
d_mols :
RDKit::MolBundle
d_msg :
RDKit::MolSanitizeException
d_nAtoms :
RDMIF::VdWaals
d_nCols :
RDNumeric::Matrix< TYPE >
d_nFitColor :
RDKit::GaussianShape::SingleConformerAlignment
d_nFitShape :
RDKit::GaussianShape::SingleConformerAlignment
d_nRefColor :
RDKit::GaussianShape::SingleConformerAlignment
d_nRefShape :
RDKit::GaussianShape::SingleConformerAlignment
d_nRows :
RDNumeric::Matrix< TYPE >
d_numAtoms :
RDKit::SynthonSpaceSearch::SampleMolRec
d_numBitsPerFeature :
RDKit::FingerprintArguments
d_numExplicitHs :
RDKit::Atom
d_numMetadataEntries :
RDKit::MolDraw2D
d_numPoints :
ForceFields::ForceField
d_numRadicalElectrons :
RDKit::Atom
d_optimMode :
RDKit::GaussianShape::SingleConformerAlignment
d_original_parities :
RDKit::EnumerateStereoisomers::details::StereoGroupFlipper
d_params :
ForceFields::MMFF::MMFFAngleCollection
,
ForceFields::MMFF::MMFFAromCollection
,
ForceFields::MMFF::MMFFBndkCollection
,
ForceFields::MMFF::MMFFBondCollection
,
ForceFields::MMFF::MMFFChgCollection
,
ForceFields::MMFF::MMFFCovRadPauEleCollection
,
ForceFields::MMFF::MMFFDefCollection
,
ForceFields::MMFF::MMFFDfsbCollection
,
ForceFields::MMFF::MMFFHerschbachLaurieCollection
,
ForceFields::MMFF::MMFFOopCollection
,
ForceFields::MMFF::MMFFPBCICollection
,
ForceFields::MMFF::MMFFPropCollection
,
ForceFields::MMFF::MMFFStbnCollection
,
ForceFields::MMFF::MMFFTorCollection
,
ForceFields::MMFF::MMFFVdWCollection
,
RDKit::v2::FileParsers::ForwardSDMolSupplier
d_pos :
RDMIF::VdWaals
d_positions :
ForceFields::ForceField
d_props :
RDKit::RDProps
d_qStepSize :
RDKit::GaussianShape::SingleConformerAlignment
d_quatTrans :
RDKit::GaussianShape::SingleConformerAlignment
d_queryConfId :
RDKit::AtomCoordsMatchFunctor
d_queryType :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_R_star_ij :
RDMIF::VdWaals
d_radius :
RDKit::MorganFingerprint::MorganArguments
d_reaction :
RDKit::SynthonSpaceSearch::SynthonSpaceHitSet
d_ref :
RDKit::GaussianShape::SingleConformerAlignment
d_refAlphas :
RDKit::GaussianShape::SingleConformerAlignment
d_refCarbonRadii :
RDKit::GaussianShape::SingleConformerAlignment
d_refColorVol :
RDKit::GaussianShape::SingleConformerAlignment
d_refConfId :
RDKit::AtomCoordsMatchFunctor
d_refShapeVol :
RDKit::GaussianShape::SingleConformerAlignment
d_refTemp :
RDKit::GaussianShape::SingleConformerAlignment
d_refTypes :
RDKit::GaussianShape::SingleConformerAlignment
d_res :
RDKit::RascalMCES::details::ClusNode
d_set :
Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
d_shapeConvergenceCriterion :
RDKit::GaussianShape::SingleConformerAlignment
d_sim :
RDKit::RascalMCES::details::ClusNode
d_simAlpha :
RDKit::GaussianShape::SingleConformerAlignment
d_simBeta :
RDKit::GaussianShape::SingleConformerAlignment
d_size :
RDKit::SynthonSpaceSearch::details::MemoryMappedFileReader
,
RDNumeric::SymmMatrix< TYPE >
d_sizes :
RDKit::SynthonSpaceSearch::details::Stepper
d_stereo :
RDKit::Bond
d_stretchBendType :
ForceFields::MMFF::MMFFStbnCollection
d_structureFlags :
DistGeom::ChiralSet
d_synthon :
RDKit::SynthonSpaceSearch::SampleMolRec
d_synthonNums :
RDKit::SynthonSpaceSearch::SampleMolRec
d_synthonSet :
RDKit::SynthonSpaceSearch::SampleMolRec
d_synthonSetNum :
RDKit::SynthonSpaceSearch::SampleMolRec
d_tol :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_tol2 :
RDKit::AtomCoordsMatchFunctor
d_torsionAtomCount :
RDKit::TopologicalTorsion::TopologicalTorsionArguments
d_torType :
ForceFields::MMFF::MMFFTorCollection
d_tStepSize :
RDKit::GaussianShape::SingleConformerAlignment
d_typeStr :
RDCatalog::CatalogParams
d_upper :
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
d_useCutoff :
RDKit::GaussianShape::SingleConformerAlignment
d_val :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
d_volumeLowerBound :
DistGeom::ChiralSet
d_volumeUpperBound :
DistGeom::ChiralSet
d_wellDepth :
RDMIF::VdWaals
DA :
ForceFields::MMFF::MMFFVdW
DAEPS :
ForceFields::MMFF::MMFFVdWCollection
DARAD :
ForceFields::MMFF::MMFFVdWCollection
dashNegative :
RDKit::MolDraw2DUtils::ContourParams
dashPattern_ :
RDKit::MolDraw2D_detail::DrawShapePolyLine
,
RDKit::MolDraw2D_detail::DrawShapeSimpleLine
DBL_BOND_NO_STEREO :
RDKit::StereoBondThresholds
DBL_BOND_SPECIFIED_STEREO :
RDKit::StereoBondThresholds
debugParse :
RDKit::v1::SmartsParserParams
,
RDKit::v1::SmilesParserParams
,
RDKit::v2::SmilesParse::SmartsParserParams
,
RDKit::v2::SmilesParse::SmilesParserParams
default_buffer_size :
boost_adaptbx::python::streambuf
DEFAULT_FONT_SCALE :
RDKit::MolDraw2D_detail::DrawText
default_nthreads :
RDPickers::LeaderPicker
DEFAULT_REPEAT_COUNT :
RDKit::MolEnumerator::RepeatUnitOp
default_threshold :
RDPickers::LeaderPicker
DegenerateSmartsQueryMolDict :
RDKit::MCSResult
degree :
RDKit::Canon::AtomCompareCode
,
RDKit::Canon::canon_atom
delimiter :
RDKit::GeneralMolSupplier::SupplierOptions
,
RDKit::v2::FileParsers::SmilesMolSupplierParams
deprotection_class :
RDKit::Deprotect::DeprotectData
descriptor :
RDKit::Chirality::StereoInfo
DesiredCharge :
RDKit::StructureCheck::StructCheckerOptions
detail :
RDKit::MolStandardize::PipelineLogEntry
df_branchedPaths :
RDKit::RDKitFP::RDKitFPArguments
df_clearOnDestruct :
RDKit::detail::RecursiveLocker
df_countSimulation :
RDKit::FingerprintArguments
df_enabled :
boost::logging::rdLogger
df_end :
RDKit::v2::FileParsers::ForwardSDMolSupplier
df_eofHitOnRead :
RDKit::v2::FileParsers::ForwardSDMolSupplier
df_fixed :
RDDepict::EmbeddedAtom
df_includeChirality :
RDKit::FingerprintArguments
df_includeRedundantEnvironments :
RDKit::MorganFingerprint::MorganArguments
df_init :
ForceFields::ForceField
df_isAromatic :
RDKit::Atom
,
RDKit::Bond
df_isConjugated :
RDKit::Bond
df_lowerOpen :
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
df_negate :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
df_noImplicit :
RDKit::Atom
df_onlyNonzeroInvariants :
RDKit::MorganFingerprint::MorganArguments
df_onlyShortestPaths :
RDKit::TopologicalTorsion::TopologicalTorsionArguments
df_owner :
boost::logging::rdLogger
,
RDKit::v2::FileParsers::MolSupplier
df_processPropertyLists :
RDKit::v2::FileParsers::ForwardSDMolSupplier
df_upperOpen :
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
df_use2D :
RDKit::AtomPair::AtomPairArguments
df_useAtomMaps :
RDKit::Canon::AtomCompareFunctor
df_useAtomMapsOnDummies :
RDKit::Canon::AtomCompareFunctor
df_useBondOrder :
RDKit::RDKitFP::RDKitFPArguments
df_useBondTypes :
RDKit::MorganFingerprint::MorganArguments
df_useChirality :
RDKit::Canon::AtomCompareFunctor
df_useChiralityRings :
RDKit::Canon::AtomCompareFunctor
df_useChiralPresence :
RDKit::Canon::AtomCompareFunctor
df_useHs :
RDKit::RDKitFP::RDKitFPArguments
df_useIsotopes :
RDKit::Canon::AtomCompareFunctor
df_useNbrs :
RDKit::Canon::AtomCompareFunctor
,
RDKit::Canon::ChiralAtomCompareFunctor
df_useNonStereoRanks :
RDKit::Canon::AtomCompareFunctor
dictRef :
RDKit::MarvinBondStereo
dir :
RDKit::Chirality::WedgeInfoAtropisomer
DIRECTION_SET :
RDKit::StereoBondThresholds
displayLabel :
RDKit::Abbreviations::AbbreviationDefinition
displayLabelW :
RDKit::Abbreviations::AbbreviationDefinition
dist_bound :
RDPickers::MaxMinPickInfo
distance :
ForceFields::CrystalFF::ETKDGForceConsts::Params
distCutoff :
RDKit::GaussianShape::ShapeOverlayOptions
distMat :
ForceFields::CrystalFF::CrystalFFDetails
doCanonical :
RDKit::MolStandardize::CleanupParameters
doEnumeration :
RDKit::RGroupDecompositionParameters
doEquivBondPruning :
RDKit::RascalMCES::RascalOptions
doIsomericSmiles :
RDKit::SmilesWriteParams
doKekule :
RDKit::SmilesWriteParams
doRandom :
RDKit::MolEnumerator::MolEnumeratorParams
,
RDKit::SmilesWriteParams
doTautomers :
RDKit::RGroupDecompositionParameters
doubleBits :
RDKit::RDValue
dp_atom :
RDKit::EnumerateStereoisomers::details::AtomFlipper
dp_atoms :
RDKit::Canon::AtomCompareFunctor
,
RDKit::Canon::ChiralAtomCompareFunctor
,
RDKit::Canon::SpecialChiralityAtomCompareFunctor
,
RDKit::Canon::SpecialSymmetryAtomCompareFunctor
dp_atomsInPlay :
RDKit::Canon::AtomCompareFunctor
,
RDKit::Canon::SpecialChiralityAtomCompareFunctor
,
RDKit::Canon::SpecialSymmetryAtomCompareFunctor
dp_bits :
ExplicitBitVect
,
SparseBitVect
dp_bond :
RDKit::EnumerateStereoisomers::details::AtropisomerFlipper
,
RDKit::EnumerateStereoisomers::details::BondFlipper
dp_bondsInPlay :
RDKit::Canon::AtomCompareFunctor
,
RDKit::Canon::SpecialChiralityAtomCompareFunctor
,
RDKit::Canon::SpecialSymmetryAtomCompareFunctor
dp_compareCodes :
RDKit::Canon::AtomCompareFunctor
dp_cParams :
RDCatalog::Catalog< entryType, paramType >
dp_cr_ :
RDKit::MolDraw2D_detail::DrawTextFTCairo
dp_dest :
boost::logging::rdLogger
dp_distMat :
ForceFields::ForceField
dp_fingerprintArguments :
RDKit::AtomEnvironmentGenerator< OutputType >
dp_forceField :
ForceFields::ForceFieldContrib
dp_ij :
ForceFields::MMFF::MMFFHerschbachLaurie
dp_inStream :
RDKit::v2::FileParsers::MolSupplier
dp_macroAtomInfo :
RDKit::Atom
dp_macroBondInfo :
RDKit::Bond
dp_mol :
RDKit::Atom
,
RDKit::Bond
,
RDKit::Canon::AtomCompareFunctor
,
RDKit::Canon::ChiralAtomCompareFunctor
,
RDKit::Canon::SpecialChiralityAtomCompareFunctor
,
RDKit::Canon::SpecialSymmetryAtomCompareFunctor
dp_monomerInfo :
RDKit::Atom
dp_operation :
RDKit::MolEnumerator::MolEnumeratorParams
dp_pattern :
ForceFields::CrystalFF::ExpTorsionAngle
,
ForceFields::CrystalFF::GaussianExpTorsionAngle
,
RDKit::Descriptors::CrippenParams
dp_query :
RDKit::QueryBond
dp_sorter :
RDKit::CIPLabeler::SequenceRule
dp_stereoAtoms :
RDKit::Bond
dp_supplier :
RDKit::v1::MolSupplier
dp_teeHelperStream :
boost::logging::rdLogger
dp_urfData :
RDKit::RingInfo
drawAsLines :
RDKit::MolDraw2DUtils::ContourParams
drawChars_ :
RDKit::MolDraw2D_detail::AtomSymbol
drawHeight_ :
RDKit::MolDraw2D_detail::DrawMol
drawingExtentsInclude :
RDKit::MolDrawOptions
drawingInitialised_ :
RDKit::MolDraw2D_detail::DrawMol
drawModes_ :
RDKit::MolDraw2D_detail::AtomSymbol
drawMol_ :
RDKit::MolDraw2D_detail::DrawMol
drawMolsSameScale :
RDKit::MolDrawOptions
drawOptions_ :
RDKit::MolDraw2D_detail::DrawMol
drawWidth_ :
RDKit::MolDraw2D_detail::DrawMol
dummiesAreAttachments :
RDKit::MolDrawOptions
dummyIsotopeLabels :
RDKit::MolDrawOptions
DupCacheFound :
RDKit::FMCS::ExecStatistics
DupCacheFoundMatch :
RDKit::FMCS::ExecStatistics
DupCacheKey :
RDKit::FMCS::Seed
DUPLICATE :
RDKit::CIPLabeler::Node
DUPLICATE_OR_H :
RDKit::CIPLabeler::Node
Generated on
for RDKit by
1.17.0