Package com.chemaxon.descriptors.alignment
3D flexible alignment based molecular shape similarity calculation.
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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 calculationShapeDescriptor -
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