Class | Description |
---|---|
BuildStorage |
Build serialized descriptors storage from molecules.
|
BuildStorageStat |
Statistics for
BuildStorage execution. |
CalculateOverlap |
Calculate overlap between two sets.
|
CalculateOverlap.OverlapResult<D extends Descriptor,T extends Serializable> |
Data object for compared sets.
|
CalculateOverlapParameters |
Command line arguments.
|
CalculateOverlapParameters.NoSplitter |
Helper class to avoid splitting multi arity cli arguments on commas.
|
CalculateOverlapStat |
Statistics for
CalculateOverlap execution. |
CalculateSelfOverlap |
Calculate self overlap.
|
CalculateSelfOverlap.SelfOverlap<D extends Descriptor,T extends Serializable> |
Data object for self overlap.
|
CreateAllAbsentMms |
Create master molecules storage containing only absents.
|
CreateAllAbsentMmsParameters |
Command line arguments for
CreateMms . |
CreateMms |
Create master molecules storage from a structure file.
|
CreateMmsParameters |
Command line arguments for
CreateMms . |
CreateMmsStat |
Statistics for
CreateMms execution. |
DumpStorage |
Read various serialized storages and dump their contents to the console.
|
DumpStorageParameters |
Command line arguments for
ImportStorage . |
ImportStorage |
Build serialized descriptors storage from custom Strings representation.
|
ImportStorageParameters |
Command line arguments for
ImportStorage . |
JsEval |
Read various serialized storages and dump their contents to the console.
|
JsEvalParameters |
Command line arguments for
ImportStorage . |
MadfastImport |
Unified structure import/preprocess tool.
|
MadfastImportParameters |
CLI parameters for
MadfastImport . |
MadfastImportParameters.NoSplitter | |
MadfastImportStat |
Statistics for
MadfastImport execution. |
PagedDescriptorImport |
Example code to excercise paged descriptor storage.
|
PagedDescriptorImportParameters |
Command line parameters for
PagedDescriptorImport . |
PipelineRunner |
Responsible for composing the pipeline.
|
PipelineRunner.Connection<T> | |
PipelineRunner.IO<T> | |
PrepareMolecules |
Common utilities to prepare molecule sets.
|
PrepareMoleculesParameters |
Command line parameters for
PrepareMolecules . |
SearchStorage |
Search serialized descriptors storage.
|
SearchStorageParameters |
Command line arguments for
SearchStorage . |
SearchStorageStat |
Statistics for
SearchStorage execution. |
Enum | Description |
---|---|
DumpStorage.DescOutFormat |
Descriptor output format.
|
PipelineRunner.IOType | |
SearchStorage.SearchMode |
Search mode.
|