RDKit::GaussianShape::ShapeInput Member List

This is the complete list of members for RDKit::GaussianShape::ShapeInput, including all inherited members.

bestSimilarity(const ShapeInput &fitShape, unsigned int &bestThisShape, unsigned int &bestFitShape, RDGeom::Transform3D &bestXform, double threshold=-1.0, const ShapeOverlayOptions &overlayOpts=ShapeOverlayOptions())	RDKit::GaussianShape::ShapeInput
calcCanonicalRotation()	RDKit::GaussianShape::ShapeInput
calcCanonicalTranslation()	RDKit::GaussianShape::ShapeInput
calcEigenValues()	RDKit::GaussianShape::ShapeInput
calcExtremes()	RDKit::GaussianShape::ShapeInput
calcMomentsOfInertia(bool includeColors=false) const	RDKit::GaussianShape::ShapeInput
getActiveShape() const	RDKit::GaussianShape::ShapeInput	inline
getAlphas() const	RDKit::GaussianShape::ShapeInput	inline
getAtomPoints(bool includeColors=false) const	RDKit::GaussianShape::ShapeInput
getCarbonRadii() const	RDKit::GaussianShape::ShapeInput	inline
getColorVolume() const	RDKit::GaussianShape::ShapeInput	inline
getColorVolume(unsigned int shapeNum) const	RDKit::GaussianShape::ShapeInput
getCoords() const	RDKit::GaussianShape::ShapeInput	inline
getFeatureTypes() const	RDKit::GaussianShape::ShapeInput	inline
getIsNormalized() const	RDKit::GaussianShape::ShapeInput	inline
getNumAtoms() const	RDKit::GaussianShape::ShapeInput	inline
getNumFeatures() const	RDKit::GaussianShape::ShapeInput	inline
getNumShapes() const	RDKit::GaussianShape::ShapeInput	inline
getShapeVolume() const	RDKit::GaussianShape::ShapeInput	inline
getShapeVolume(unsigned int shapeNum) const	RDKit::GaussianShape::ShapeInput
getSmiles() const	RDKit::GaussianShape::ShapeInput	inline
maxPossibleSimilarity(const ShapeInput &fitShape, const ShapeOverlayOptions &overlayOpts=ShapeOverlayOptions()) const	RDKit::GaussianShape::ShapeInput
merge(ShapeInput &&other)	RDKit::GaussianShape::ShapeInput
negateAlpha(unsigned int alphaNum)	RDKit::GaussianShape::ShapeInput
normalizeCoords()	RDKit::GaussianShape::ShapeInput
operator=(const ShapeInput &other)	RDKit::GaussianShape::ShapeInput
operator=(ShapeInput &&other)=default	RDKit::GaussianShape::ShapeInput
pruneShapes(double simThreshold)	RDKit::GaussianShape::ShapeInput
setActiveShape(unsigned int newShape)	RDKit::GaussianShape::ShapeInput
ShapeInput(const ROMol &mol, int confId=-1, const ShapeInputOptions &opts=ShapeInputOptions(), const ShapeOverlayOptions &overlayOpts=ShapeOverlayOptions())	RDKit::GaussianShape::ShapeInput	explicit
ShapeInput(const ShapeInput &other, unsigned int shapeNum)	RDKit::GaussianShape::ShapeInput
ShapeInput(const std::string &str)	RDKit::GaussianShape::ShapeInput	inlineexplicit
ShapeInput(const ShapeInput &other)	RDKit::GaussianShape::ShapeInput
ShapeInput(ShapeInput &&other)=default	RDKit::GaussianShape::ShapeInput
shapeToMol(bool includeColors=false, bool withBonds=true) const	RDKit::GaussianShape::ShapeInput
toString() const	RDKit::GaussianShape::ShapeInput	inline
transformCoords(RDGeom::Transform3D &xform)	RDKit::GaussianShape::ShapeInput
~ShapeInput()=default	RDKit::GaussianShape::ShapeInput