RDKit
Open-source cheminformatics and machine learning.
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
boxSizeMultRDKit::DGeomHelpers::EmbedParameters
clearConfsRDKit::DGeomHelpers::EmbedParameters
coordMapRDKit::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=1, const DistGeom::BoundsMatrix *boundsMat=nullptr, bool embedFragmentsSeparately=true)RDKit::DGeomHelpers::EmbedParametersinline
enforceChiralityRDKit::DGeomHelpers::EmbedParameters
ETversionRDKit::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
useBasicKnowledgeRDKit::DGeomHelpers::EmbedParameters
useExpTorsionAnglePrefsRDKit::DGeomHelpers::EmbedParameters
useRandomCoordsRDKit::DGeomHelpers::EmbedParameters
verboseRDKit::DGeomHelpers::EmbedParameters