Package com.chemaxon.descriptors.alignment

3D flexible alignment based molecular shape similarity calculation.

See: Description

Interface Summary

Interface	Description
DRShapeDescriptor	Descriptor (serialized data) for the Distance range assisted shape alignment comparison.
FlexibilityModeParameterBuilder
ShapeComparator<T extends ShapeDescriptor>
ShapeComparisonResult	Flexible alignment based shape descriptor calculation
ShapeDescriptor

Class Summary

Class	Description
AbstractShapeComparator<T extends ShapeDescriptor>
AbstractShapeGenerator<D extends ShapeDescriptor,P extends AbstractShapeGeneratorParameter>
AbstractShapeGeneratorParameter	Helper class without the requested getDescriptorGenerator method.
BaseShapeComparatorParameter

Enum Summary

Enum	Description
AtomTyping	Settings for shape associated atom typing.
DRShapeMetrics	Metrics for distance range assisted shape comparison.
ShapeFunction
ShapeMetrics

Exception Summary

Exception	Description
ShapeComparatorException
ShapeGeneratorException

Package com.chemaxon.descriptors.alignment Description

3D flexible alignment based molecular shape similarity calculation.