RDKit
Open-source cheminformatics and machine learning.
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RDKit::DGeomHelpers::EmbedParameters Member List

This is the complete list of members for RDKit::DGeomHelpers::EmbedParameters, including all inherited members.

basinThreshRDKit::DGeomHelpers::EmbedParameters
boundsMatRDKit::DGeomHelpers::EmbedParameters
boundsMatForceScalingRDKit::DGeomHelpers::EmbedParameters
boxSizeMultRDKit::DGeomHelpers::EmbedParameters
callbackRDKit::DGeomHelpers::EmbedParameters
clearConfsRDKit::DGeomHelpers::EmbedParameters
coordMapRDKit::DGeomHelpers::EmbedParameters
CPCIRDKit::DGeomHelpers::EmbedParameters
embedFragmentsSeparatelyRDKit::DGeomHelpers::EmbedParameters
EmbedParameters()RDKit::DGeomHelpers::EmbedParametersinline
EmbedParameters(unsigned int maxIterations, int numThreads, int randomSeed, bool clearConfs, bool useRandomCoords, double boxSizeMult, bool randNegEig, unsigned int numZeroFail, const std::map< int, RDGeom::Point3D > *coordMap, double optimizerForceTol, bool ignoreSmoothingFailures, bool enforceChirality, bool useExpTorsionAnglePrefs, bool useBasicKnowledge, bool verbose, double basinThresh, double pruneRmsThresh, bool onlyHeavyAtomsForRMS, unsigned int ETversion=2, const DistGeom::BoundsMatrix *boundsMat=nullptr, bool embedFragmentsSeparately=true, bool useSmallRingTorsions=false, bool useMacrocycleTorsions=false, bool useMacrocycle14config=false, std::shared_ptr< std::map< std::pair< unsigned int, unsigned int >, double > > CPCI=nullptr, void(*callback)(unsigned int)=nullptr)RDKit::DGeomHelpers::EmbedParametersinline
enableSequentialRandomSeedsRDKit::DGeomHelpers::EmbedParameters
enforceChiralityRDKit::DGeomHelpers::EmbedParameters
ETversionRDKit::DGeomHelpers::EmbedParameters
failuresRDKit::DGeomHelpers::EmbedParameters
forceTransAmidesRDKit::DGeomHelpers::EmbedParameters
ignoreSmoothingFailuresRDKit::DGeomHelpers::EmbedParameters
maxIterationsRDKit::DGeomHelpers::EmbedParameters
numThreadsRDKit::DGeomHelpers::EmbedParameters
numZeroFailRDKit::DGeomHelpers::EmbedParameters
onlyHeavyAtomsForRMSRDKit::DGeomHelpers::EmbedParameters
optimizerForceTolRDKit::DGeomHelpers::EmbedParameters
pruneRmsThreshRDKit::DGeomHelpers::EmbedParameters
randNegEigRDKit::DGeomHelpers::EmbedParameters
randomSeedRDKit::DGeomHelpers::EmbedParameters
symmetrizeConjugatedTerminalGroupsForPruningRDKit::DGeomHelpers::EmbedParameters
trackFailuresRDKit::DGeomHelpers::EmbedParameters
useBasicKnowledgeRDKit::DGeomHelpers::EmbedParameters
useExpTorsionAnglePrefsRDKit::DGeomHelpers::EmbedParameters
useMacrocycle14configRDKit::DGeomHelpers::EmbedParameters
useMacrocycleTorsionsRDKit::DGeomHelpers::EmbedParameters
useRandomCoordsRDKit::DGeomHelpers::EmbedParameters
useSmallRingTorsionsRDKit::DGeomHelpers::EmbedParameters
useSymmetryForPruningRDKit::DGeomHelpers::EmbedParameters
verboseRDKit::DGeomHelpers::EmbedParameters