RDKit::DGeomHelpers::EmbedParameters Member List

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

basinThresh	RDKit::DGeomHelpers::EmbedParameters
boundsMat	RDKit::DGeomHelpers::EmbedParameters
boundsMatForceScaling	RDKit::DGeomHelpers::EmbedParameters
boxSizeMult	RDKit::DGeomHelpers::EmbedParameters
callback	RDKit::DGeomHelpers::EmbedParameters
clearConfs	RDKit::DGeomHelpers::EmbedParameters
coordMap	RDKit::DGeomHelpers::EmbedParameters
CPCI	RDKit::DGeomHelpers::EmbedParameters
embedFragmentsSeparately	RDKit::DGeomHelpers::EmbedParameters
EmbedParameters()	RDKit::DGeomHelpers::EmbedParameters	inline
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::EmbedParameters	inline
enableSequentialRandomSeeds	RDKit::DGeomHelpers::EmbedParameters
enforceChirality	RDKit::DGeomHelpers::EmbedParameters
ETversion	RDKit::DGeomHelpers::EmbedParameters
failures	RDKit::DGeomHelpers::EmbedParameters
forceTransAmides	RDKit::DGeomHelpers::EmbedParameters
ignoreSmoothingFailures	RDKit::DGeomHelpers::EmbedParameters
maxIterations	RDKit::DGeomHelpers::EmbedParameters
numThreads	RDKit::DGeomHelpers::EmbedParameters
numZeroFail	RDKit::DGeomHelpers::EmbedParameters
onlyHeavyAtomsForRMS	RDKit::DGeomHelpers::EmbedParameters
optimizerForceTol	RDKit::DGeomHelpers::EmbedParameters
pruneRmsThresh	RDKit::DGeomHelpers::EmbedParameters
randNegEig	RDKit::DGeomHelpers::EmbedParameters
randomSeed	RDKit::DGeomHelpers::EmbedParameters
symmetrizeConjugatedTerminalGroupsForPruning	RDKit::DGeomHelpers::EmbedParameters
trackFailures	RDKit::DGeomHelpers::EmbedParameters
useBasicKnowledge	RDKit::DGeomHelpers::EmbedParameters
useExpTorsionAnglePrefs	RDKit::DGeomHelpers::EmbedParameters
useMacrocycle14config	RDKit::DGeomHelpers::EmbedParameters
useMacrocycleTorsions	RDKit::DGeomHelpers::EmbedParameters
useRandomCoords	RDKit::DGeomHelpers::EmbedParameters
useSmallRingTorsions	RDKit::DGeomHelpers::EmbedParameters
useSymmetryForPruning	RDKit::DGeomHelpers::EmbedParameters
verbose	RDKit::DGeomHelpers::EmbedParameters