| 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.
|