Interface | Description |
---|---|
BinaryVectorDescriptor |
BinaryVectorDescriptor is a
Descriptor which holds a fixed length binary fingerprint. |
ComparisonResult |
Result of a descriptor comparison.
|
Descriptor |
Descriptor represents a molecular descriptor calculated by a specific
DescriptorGenerator
instance for a specific structure. |
DescriptorComparator<D extends Descriptor> |
Common functionality for descriptor comparison.
|
DescriptorGenerator<B extends Descriptor> |
DescriptorGenerator implements molecule to descriptor calculation functionality.
|
DescriptorParameters |
Descriptor calculator parameters base interface.
|
DescriptorSerializer<B extends Descriptor> |
DescriptorSerializer represents descriptor IO.
|
FloatVectorDescriptor |
FloatVectorDescriptor is a
Descriptor which holds a float vector fingerprint. |
Guarded |
Represents guarded entities.
|
Class | Description |
---|---|
BinaryVectors |
Utility methods related to bit string descriptors.
|
Guarded.EnsureThat |
Guarded checking utility.
|
Guarded.New |
Create new guard object.
|
Enum | Description |
---|---|
BinaryVectors.Endianness |
Order of components in packed representations.
|
Unguarded descriptor comparison and generation codes optimized for performance against robustness. Classes, interfaces in this package must be used with extreme care: API contract enforcement is inverted since contracts and preconditions of the unguarded functionality must be enforced by the outer level.