Resources

name path methods description
DescriptorsResource
  • /descriptors
  • /descriptors/{desc}
  • /descriptors/{desc}/distribution
  • /descriptors/{desc}/distribution-async
  • /descriptors/{desc}/distribution-by-descriptor
  • /descriptors/{desc}/find-most-similars
  • /descriptors/{desc}/find-most-similars-async
  • /descriptors/{desc}/find-most-similars-by-descriptor
  • /descriptors/{desc}/find-most-similars-by-id
  • /descriptors/{desc}/get-available-metrics
  • /descriptors/{desc}/get-sizeinfo
  • GET
  • GET
  • GET POST
  • POST
  • GET POST
  • GET POST
  • POST
  • GET POST
  • GET
  • GET
  • GET
Molecular desciptors JAX-RS resource.
ExperimentalAsyncCallsResource
  • /experimental-async-calls/ids
  • /experimental-async-calls/{id}
  • /experimental-async-calls/{id}/cancel
  • GET
  • GET
  • POST
Async calls REST API endpoint. (Experimental currently) Represents the status of launched asynchronous calls, including their progress, results and partial results. Please note that endpoints of this resource are expected to be changed in an incompatible way in any of the future releases.
ExperimentalRawFilesContentResource
  • /experimental-rawfiles-content/{res}
  • GET
Experimental REST API endpoint for accessing rawfiles. This endpoint allows the accessing raw file contents with the usual semantics of HTTP servers: paths served by this resource (like rest/experimental-rawfiles-content/file1.txt) can be less confusing than the semantics of REST APIs (like rest/experimental-rawfiles/file1.txt/raw; also supported). Note that this endpoint provides only a view, modifications, metadata accessing is available through the REST endpoint (rest/experimental-rawfiles) implemented by ExperimentalRawFilesResource.

Please note that endpoints of this resource are expected to be changed in an incompatible way in any of the future releases.
ExperimentalRawFilesResource
  • /experimental-rawfiles
  • /experimental-rawfiles/{res}
  • /experimental-rawfiles/{res}/get-sizeinfo
  • /experimental-rawfiles/{res}/raw
  • /experimental-rawfiles/{res}/raw-nocd
  • /experimental-rawfiles/{res}/segment
  • GET POST
  • DELETE GET PUT
  • GET
  • GET
  • GET
  • GET
Experimental REST API endpoint for rawfile handling. Please note that endpoints of this resource are expected to be changed in an incompatible way in any of the future releases.
ExperimentalResource
  • /experimental/pmapper
  • POST
Experimental REST API endpoint with various functionalities. Please note that endpoints of this resource are expected to be changed in an incompatible way in any of the future releases.
GenerateErrorResponse
  • /generate-error-response
  • GET
Diagnostic resource to generate error response. The same error response is used in other parts of the API when a request fails.
GridsResource
  • /grids
  • /grids/{grid}
  • GET
  • GET
Represents generic table resources. Note that this resource is not supported in the current release.
KnnResource
  • /knn-results
  • /knn-results/{res}
  • /knn-results/{res}/get-sizeinfo
  • /knn-results/{res}/knndata
  • /knn-results/{res}/neighbor-png-or-placeholder
  • /knn-results/{res}/neighborcounts
  • /knn-results/{res}/query-png-or-placeholder
  • /knn-results/{res}/queryindices
  • /knn-results/{res}/table-labels
  • /knn-results/{res}/neighbors/{k}/dissimilarities
  • /knn-results/{res}/neighbors/{k}/indices
  • /knn-results/{res}/neighbors/{k}/props/{propname}
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • POST
  • GET
  • GET
  • GET
KNN analysis results JAX-RS resource.
MetaResource
  • /meta
  • GET
Description of available resources.
MolConverter
  • /molconverter/convert
  • /molconverter/convert-multiple
  • /molconverter/cxbinformat
  • /molconverter/cxformat
  • GET POST
  • POST
  • GET POST
  • GET POST
Expose CXN mol converter functionality for a single molecule.
MoleculesResource
  • /molecules
  • /molecules/{set}
  • /molecules/{set}/find-id
  • /molecules/{set}/get-multiple-ids
  • /molecules/{set}/get-multiple-props
  • /molecules/{set}/get-sizeinfo
  • /molecules/{set}/{index}
  • /molecules/{set}/{index}/cxbinformat
  • /molecules/{set}/{index}/cxformat
  • /molecules/{set}/{index}/id
  • /molecules/{set}/{index}/png
  • /molecules/{set}/{index}/png-or-placeholder
  • /molecules/{set}/{index}/sdf
  • /molecules/{set}/{index}/smiles
  • /molecules/{set}/props/{propname}/get-properties-on-index-range
  • /molecules/{set}/{index}/props/{propname}
  • GET
  • GET
  • GET
  • POST
  • POST
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET
  • GET POST
  • GET
Represents molecule sets.
ProfResResource
  • /profres
  • /profres/{prof}
  • /profres/{prof}/get-sizeinfo
  • GET
  • GET
  • GET
Profiling results JAX-RS resource.
StatResResource
  • /statres
  • /statres/{stat}
  • /statres/{stat}/get-sizeinfo
  • GET
  • GET
  • GET
Execution statistics collection resource.
StatisticsResource
  • /statistics
  • /statistics/get-total-sizeinfo
  • /statistics/loading-status
  • /statistics/profiling-snapshot
  • GET
  • GET
  • GET
  • GET
Simple server statistics.

Data Types

JSON

type description
AsyncCallDto
Status of an asynchronous call.
AsyncCallDtoOfDissimilarityDistributionResult
Status of an asynchronous call.
AsyncCallDtoOfMostSimilarsResult
Status of an asynchronous call.
ChoiceParameterType
ConversionRequest
Molecule conversion request.
ConversionResult
Molecule conversion result.
DescriptorInfo
Basic info of descriptor data.
DescriptorsInfo
Information of available descriptors.
DissimilarityDistributionRequest
Request DTO of a dissimilarity distribution search.
DissimilarityDistributionResult
Dissimilarity distribution conversion result.
DissimilarityTargetInfo
Similarity of a target.
ErrorReport
Response in case of an error. In case of an error the registered WuiExceptionMapper will create a Response containing the proper HTTP status and an instance of this class as a JSON.
ExperimentalAddMoleculesRequest
DTO for add molecules request.
ExperimentalRawFileInfo
Info about a raw file content.
ExperimentalRawFilesInfo
Info about all available raw file content.
GarbageCollectorInfoDto
Represents a garbage collector.
GridInfo
Basic info of grid data. Note that this DTO is not supported in the current release.
GridsInfo
Information of available grids. Note that this DTO is not supported in the current release.
Histogram
DTO for LinearHistogram.
KnnData
Nearest neighbor data. The same class represents nearest neighbor and k-nearest neighbor data. Also the same class represents inter-set and self overlap neighborhood data.

Note that the number of stored neighbors might vary.
KnnInfo
Info about a knn analysis result.
KnnTableLabelEntry
Entry for a single query structure.
KnnTableLabels
Labels for a subset of the neighbors for a subset of queries.
KnnsInfo
Information of available knn/nn analysis results.
LinenoteChoiceDto
Represents descriptive data of a ChoiceDescriptor.
LinenoteChoiceParameterDto
Represents descriptive data of a ChoiceParameterDescriptor.
LinenoteChoiceParameterValueDto
Value-description pair of an enumerated parameter value. Used to represent possible values with their descriptions for enumerated parameters.
LinenoteDto
Contains descriptive data from a Linenote instance.
LoadingStatusDto
Status information about loading tasks.
MemoryPoolInfoDto
Represents a memory pool.
MemoryUsageDescDto
Represents memory usage.
MoleculeIds
IDs associated to multiple molecules.
MoleculeInfo
Information about a molecule.
MoleculeProp
A single additional property value.
MoleculePropInfo
Information about an additional property of a molecule set.
MoleculePropRange
Value of a single property over a range of molecule indices.
MoleculeProps
Properties associated to multiple molecules.
MoleculeSetInfo
Information about a single molecule set.
MoleculeSetsInfo
Information about available molecule sets.
MostSimilarsRequest
Request DTO of a most similars search.
MostSimilarsResult
Result of a most similars search.
MultiConversionRequest
Molecule conversion requests for multiple molecules.
MultiConversionResult
Molecule conversion results for multi request.
PmapperFeature
Experimental feature description for pharmacophore mapping.
PmapperRequest
Experimental request for pharmacophore mapping.
PmapperResponse
Experimental pmapper response.
ProfSnapshotDto
VM profiling snapshot. Contains VM instrumentation data acquired through various MXBeans. Please note that this DTO is based on class ProfSnapshot.
ResourceClassInfoDto
Metadata about a single resource class.
ResourceClassInfosDto
Information about resource classes.
SizeInfoDetailDto
Detail of a size info.
SizeInfoDto
Hierarchic description of the approximate memory allocation.
StatisticsDto
Various statistics for the embedded server.
TaskDto
Task status. Represents the status of an asynchronous task. Tasks report their progress in arbitrary work units. The work units are not further specified, but they are expected to be meaningful (like molecule count, comparison count, etc).