| Constructor and Description |
|---|
DescriptorsResource() |
| Modifier and Type | Method and Description |
|---|---|
LinenoteDto |
availableMetrics(DescRes desc)
List of available metrics.
|
DissimilarityDistributionResult |
calculateDissimilarityDistribution(DescRes desc,
String metric,
String query,
double l,
double h,
int bins)
Calculate dissimilarity distribution for a query molecule.
|
DissimilarityDistributionResult |
calculateDissimilarityDistributionByDescriptor(DescRes desc,
String metric,
String queryDescriptor,
double l,
double h,
int bins)
Calculate dissimilarity distribution for a query molecule.
|
DissimilarityDistributionResult |
calculateDissimilarityDistributionByDescriptorPost(DescRes desc,
String metric,
String queryDescriptor,
double l,
double h,
int bins)
Calculate dissimilarity distribution for a query molecule.
|
DissimilarityDistributionResult |
calculateDissimilarityDistributionPost(DescRes desc,
String metric,
String query,
double l,
double h,
int bins)
Calculate dissimilarity distributon for a query molecule.
|
DissimilarityDistributionResult |
calculateDissimilarityDistributionPostBody(DescRes descRes,
DissimilarityDistributionRequest request)
Calculate dissimilarity distributon for a query molecule.
|
AsyncCallDto<DissimilarityDistributionResult> |
calculateDissimilarityDistributionPostBodyAsync(DescRes descRes,
DissimilarityDistributionRequest request,
Long syncResultTimeoutMs)
Launch asynchronous dissimilarity distribution calculation.
|
MostSimilarsResult |
findMostSimilarsByDescriptor(DescRes desc,
String metric,
String queryDescriptorString,
int w,
int h,
int maxCount,
double maxDissimilarity,
boolean base64img)
Invoke a most similars search of a query descriptor.
|
MostSimilarsResult |
findMostSimilarsByDescriptorPost(DescRes desc,
String metric,
String queryDescriptorString,
int w,
int h,
int maxCount,
double maxDissimilarity,
boolean base64img)
Invoke a most similars search of a query descriptor.
|
MostSimilarsResult |
findMostSimilarsById(DescRes desc,
String metric,
String queryId,
int w,
int h,
int maxCount,
double maxDissimilarity,
boolean base64img)
Invoke a most similars search of a molecule identified by its ID.
|
MostSimilarsResult |
findMostSimilarsGet(DescRes desc,
String metric,
String query,
int w,
int h,
int count,
int maxCount,
double maxDissimilarity,
boolean base64img)
Invoke a most similars search of a query molecule.
|
MostSimilarsResult |
findMostSimilarsPostBody(DescRes descRes,
MostSimilarsRequest request)
Invoke a most similars search of a query molecule.
|
AsyncCallDto<MostSimilarsResult> |
findMostSimilarsPostBodyAsync(DescRes descRes,
MostSimilarsRequest request,
Long syncResultTimeoutMs)
Launch asynchronous similarity search.
|
MostSimilarsResult |
findMostSimilarsPostForm(DescRes desc,
String metric,
String query,
int w,
int h,
int count,
int maxCount,
double maxDissimilarity,
boolean base64img)
Invoke a most similars search of a query molecule.
|
SizeInfoDto |
getSizeinfo(DescRes desc,
SizeInfoMethod method,
boolean dc)
Experimental endpoint to estimate allocated size.
|
DescriptorsInfo |
getSummaryOnAllDescriptors()
Description of available molecular descriptor data.
|
DescriptorInfo |
getSummaryOnDescriptor(String desc)
Get info of descriptor data.
|
@GET @Produces(value="application/json") public DescriptorsInfo getSummaryOnAllDescriptors()
@GET @Path(value="{desc}") @Produces(value="application/json") public DescriptorInfo getSummaryOnDescriptor(@PathParam(value="desc") String desc)
desc - Descriptor set name@GET @Produces(value="application/json") @Path(value="{desc}/distribution") public DissimilarityDistributionResult calculateDissimilarityDistribution(@PathParam(value="desc") DescRes desc, @QueryParam(value="metric") @DefaultValue(value="") String metric, @QueryParam(value="query") String query, @QueryParam(value="l") @DefaultValue(value="0") double l, @QueryParam(value="h") @DefaultValue(value="1") double h, @QueryParam(value="bins") @DefaultValue(value="100") int bins)
desc - Descriptor set name.metric - Metric to use. When not specified default metric will be used.query - Query molecule in SMILES format.l - Lowest limit of histogram.h - Highest limit of histogram.bins - Bin count of histogram.@POST @Produces(value="application/json") @Consumes(value="application/x-www-form-urlencoded") @Path(value="{desc}/distribution") public DissimilarityDistributionResult calculateDissimilarityDistributionPost(@PathParam(value="desc") DescRes desc, @FormParam(value="metric") @DefaultValue(value="") String metric, @FormParam(value="query") String query, @FormParam(value="l") @DefaultValue(value="0") double l, @FormParam(value="h") @DefaultValue(value="1") double h, @FormParam(value="bins") @DefaultValue(value="100") int bins)
application/x-www-form-urlencoded format.desc - Descriptor set name.metric - Metric to use. When not specified default metric will be used.query - Query molecule in SMILES format.l - Lowest limit of histogram.h - Highest limit of histogram.bins - Bin count of histogram.@POST @Produces(value="application/json") @Consumes(value="application/json") @Path(value="{desc}/distribution") public DissimilarityDistributionResult calculateDissimilarityDistributionPostBody(@PathParam(value="desc") DescRes descRes, DissimilarityDistributionRequest request)
application/json.descRes - Descriptor set name.request - Request parameters object@POST @Produces(value="application/json") @Consumes(value="application/json") @Path(value="{desc}/distribution-async") public AsyncCallDto<DissimilarityDistributionResult> calculateDissimilarityDistributionPostBodyAsync(@PathParam(value="desc") DescRes descRes, DissimilarityDistributionRequest request, @QueryParam(value="sync-result-timeout-ms") @DefaultValue(value="0") Long syncResultTimeoutMs)
descRes - Descriptor set name.request - Request parameters objectsyncResultTimeoutMs - Wait specified time (in milliseconds) for completion before returning. When the launced
task completes during this time the results are immediately returned. When value is 0 (this is the
default when this parameter is not specified) the server immediately returns. Note that this is a query parameter
(for example use ..../distribution-async?sync-result-timeout-ms=150).AsyncCallDto.result is
DissimilarityDistributionResult.@GET @Produces(value="application/json") @Path(value="{desc}/distribution-by-descriptor") public DissimilarityDistributionResult calculateDissimilarityDistributionByDescriptor(@PathParam(value="desc") DescRes desc, @QueryParam(value="metric") @DefaultValue(value="") String metric, @QueryParam(value="query-descriptor") String queryDescriptor, @QueryParam(value="l") @DefaultValue(value="0") double l, @QueryParam(value="h") @DefaultValue(value="1") double h, @QueryParam(value="bins") @DefaultValue(value="100") int bins)
desc - Descriptor set name.metric - Metric to use. When not specified default metric will be used.queryDescriptor - Query descriptor in String serialized format. The underlying context's
OverlapAnalysisContext.getDescriptorGenerator() method
DescriptorSerializer.fromString(java.lang.String) will be used to parse the query descriptor.l - Lowest limit of histogram.h - Highest limit of histogram.bins - Bin count of histogram.@POST @Produces(value="application/json") @Consumes(value="application/x-www-form-urlencoded") @Path(value="{desc}/distribution-by-descriptor") public DissimilarityDistributionResult calculateDissimilarityDistributionByDescriptorPost(@PathParam(value="desc") DescRes desc, @FormParam(value="metric") @DefaultValue(value="") String metric, @FormParam(value="query-descriptor") String queryDescriptor, @FormParam(value="l") @DefaultValue(value="0") double l, @FormParam(value="h") @DefaultValue(value="1") double h, @FormParam(value="bins") @DefaultValue(value="100") int bins)
desc - Descriptor set name.metric - Metric to use. When not specified default metric will be used.queryDescriptor - Query descriptor in String serialized format. The underlying context's
OverlapAnalysisContext.getDescriptorGenerator() method
DescriptorSerializer.fromString(java.lang.String) will be used to parse the query descriptor.l - Lowest limit of histogram.h - Highest limit of histogram.bins - Bin count of histogram.@POST @Path(value="{desc}/find-most-similars") @Consumes(value="application/x-www-form-urlencoded") @Produces(value="application/json") public MostSimilarsResult findMostSimilarsPostForm(@PathParam(value="desc") DescRes desc, @FormParam(value="metric") @DefaultValue(value="") String metric, @FormParam(value="query") String query, @FormParam(value="w") @DefaultValue(value="100") int w, @FormParam(value="h") @DefaultValue(value="100") int h, @FormParam(value="count") @DefaultValue(value="1") int count, @FormParam(value="max-count") @DefaultValue(value="1") int maxCount, @FormParam(value="max-dissimilarity") @DefaultValue(value="1.7976931348623157E308") double maxDissimilarity, @FormParam(value="base64img") @DefaultValue(value="false") boolean base64img)
application/x-www-form-urlencoded format.desc - Descriptor set namemetric - Metric to use. When not specified default metric will be used.query - Query molecule in UTF-8 encoded formatw - Width of the target images in pixelh - Height of the target images in pixelcount - Maximal number of most similar tagets to find; not recommended; use maxCountmaxCount - Maximal number of most similar tagets to findmaxDissimilarity - Maximal dissimilarity to return; inclusivebase64img - true when Base64 encoded target images are requested@GET @Produces(value="application/json") @Path(value="{desc}/find-most-similars") public MostSimilarsResult findMostSimilarsGet(@PathParam(value="desc") DescRes desc, @QueryParam(value="metric") @DefaultValue(value="") String metric, @QueryParam(value="query") String query, @QueryParam(value="w") @DefaultValue(value="100") int w, @QueryParam(value="h") @DefaultValue(value="100") int h, @QueryParam(value="count") @DefaultValue(value="1") int count, @QueryParam(value="max-count") @DefaultValue(value="1") int maxCount, @QueryParam(value="max-dissimilarity") @DefaultValue(value="1.7976931348623157E308") double maxDissimilarity, @QueryParam(value="base64img") @DefaultValue(value="false") boolean base64img)
desc - Descriptor set namemetric - Metric to use. When not specified default metric will be used.query - Query molecule in SMILES format.w - Width of the target images in pixelh - Height of the target images in pixelcount - Maximal number of most similar tagets to find; not recommended; use maxCountmaxCount - Maximal number of most similar tagets to findmaxDissimilarity - Maximal dissimilarity to return; inclusive. When no target passes the dissimilarity limit
a WuiNotFoundException is throw resulting in a "Not found (404)" response status.base64img - true when Base64 encoded target images are requestedcount and maxCount specified the larger will be considered.@POST @Produces(value="application/json") @Consumes(value="application/json") @Path(value="{desc}/find-most-similars") public MostSimilarsResult findMostSimilarsPostBody(@PathParam(value="desc") DescRes descRes, MostSimilarsRequest request)
application/json.desc - Descriptor set namerequest - Request parameters objectcount and maxCount specified the larger will be considered.@POST @Produces(value="application/json") @Consumes(value="application/json") @Path(value="{desc}/find-most-similars-async") public AsyncCallDto<MostSimilarsResult> findMostSimilarsPostBodyAsync(@PathParam(value="desc") DescRes descRes, MostSimilarsRequest request, @QueryParam(value="sync-result-timeout-ms") @DefaultValue(value="0") Long syncResultTimeoutMs)
descRes - Descriptor set namerequest - Request parameters objectsyncResultTimeoutMs - Wait specified time (in milliseconds) for completion before returning. When the launced
task completes during this time the results are immediately returned. When value is 0 (this is the
default when this parameter is not specified) the server immediately returns. Note that this is a query parameter
(for example use ..../distribution-async?find-most-similars-async=150).AsyncCallDto.result is
MostSimilarsResult.@GET @Produces(value="application/json") @Path(value="{desc}/find-most-similars-by-descriptor") public MostSimilarsResult findMostSimilarsByDescriptor(@PathParam(value="desc") DescRes desc, @QueryParam(value="metric") @DefaultValue(value="") String metric, @QueryParam(value="query-descriptor") String queryDescriptorString, @QueryParam(value="w") @DefaultValue(value="100") int w, @QueryParam(value="h") @DefaultValue(value="100") int h, @QueryParam(value="max-count") @DefaultValue(value="1") int maxCount, @QueryParam(value="max-dissimilarity") @DefaultValue(value="1.7976931348623157E308") double maxDissimilarity, @QueryParam(value="base64img") @DefaultValue(value="false") boolean base64img)
desc - Descriptor set namemetric - Metric to use. When not specified default metric will be used.queryDescriptorString - Query descriptor in String serialized format. The underlying context's
OverlapAnalysisContext.getDescriptorGenerator() method
DescriptorSerializer.fromString(java.lang.String) will be used to parse the query descriptor.w - Width of the target images in pixelh - Height of the target images in pixelmaxCount - Maximal number of most similar tagets to findmaxDissimilarity - Maximal dissimilarity to return; inclusive. When no target passes the dissimilarity limit
a WuiNotFoundException is throw resulting in a "Not found (404)" response status.base64img - true when Base64 encoded target images are requestedcount and maxCount specified the larger will be considered.@POST @Produces(value="application/json") @Consumes(value="application/x-www-form-urlencoded") @Path(value="{desc}/find-most-similars-by-descriptor") public MostSimilarsResult findMostSimilarsByDescriptorPost(@PathParam(value="desc") DescRes desc, @FormParam(value="metric") @DefaultValue(value="") String metric, @FormParam(value="query-descriptor") String queryDescriptorString, @FormParam(value="w") @DefaultValue(value="100") int w, @FormParam(value="h") @DefaultValue(value="100") int h, @FormParam(value="max-count") @DefaultValue(value="1") int maxCount, @FormParam(value="max-dissimilarity") @DefaultValue(value="1.7976931348623157E308") double maxDissimilarity, @FormParam(value="base64img") @DefaultValue(value="false") boolean base64img)
desc - Descriptor set namemetric - Metric to use. When not specified default metric will be used.queryDescriptorString - Query descriptor in String serialized format. The underlying context's
OverlapAnalysisContext.getDescriptorGenerator() method
DescriptorSerializer.fromString(java.lang.String) will be used to parse the query descriptor.w - Width of the target images in pixelh - Height of the target images in pixelmaxCount - Maximal number of most similar tagets to findmaxDissimilarity - Maximal dissimilarity to return; inclusive. When no target passes the dissimilarity limit
a WuiNotFoundException is throw resulting in a "Not found (404)" response status.base64img - true when Base64 encoded target images are requestedcount and maxCount specified the larger will be considered.@GET @Produces(value="application/json") @Path(value="{desc}/find-most-similars-by-id") public MostSimilarsResult findMostSimilarsById(@PathParam(value="desc") DescRes desc, @QueryParam(value="metric") @DefaultValue(value="") String metric, @QueryParam(value="query-id") String queryId, @QueryParam(value="w") @DefaultValue(value="100") int w, @QueryParam(value="h") @DefaultValue(value="100") int h, @QueryParam(value="max-count") @DefaultValue(value="1") int maxCount, @QueryParam(value="max-dissimilarity") @DefaultValue(value="1.7976931348623157E308") double maxDissimilarity, @QueryParam(value="base64img") @DefaultValue(value="false") boolean base64img)
desc - Descriptor set namemetric - Metric to use. When not specified default metric will be used.queryId - ID of the query structure in the associated molecule storage. If the given ID is not found or the
current descriptor storage does not contain descriptor for the given structure a WuiNotFoundException
resulting in "Not found (404)" is thrown.w - Width of the target images in pixelh - Height of the target images in pixelmaxCount - Maximal number of most similar tagets to findmaxDissimilarity - Maximal dissimilarity to return; inclusive. When no target passes the dissimilarity limit
a WuiNotFoundException is throw resulting in a "Not found (404)" response status.base64img - true when Base64 encoded target images are requestedcount and maxCount specified the larger will be considered.WuiBadRequestException - resulting in "Bad Request (400)" in case of multiple query types are used@GET @Produces(value="application/json") @Path(value="{desc}/get-available-metrics") public LinenoteDto availableMetrics(@PathParam(value="desc") DescRes desc)
desc - Descriptor set name@Beta @GET @Produces(value="application/json") @Path(value="{desc}/get-sizeinfo") public SizeInfoDto getSizeinfo(@PathParam(value="desc") DescRes desc, @QueryParam(value="method") SizeInfoMethod method, @QueryParam(value="dc") @DefaultValue(value="false") boolean dc)
desc - Descriptor set name.method - Size info method to use.dc - Duplicate check on the large storages.