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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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Unable to search structures using the Java client or the web service #4497

Closed blanca-pueche closed 5 months ago

blanca-pueche commented 5 months ago

When using the Java client there's a problem when calling the function getStructureSearch when calling it like this: LiteEntityList querySMILESResult = client.getStructureSearch(smiles, StructureType.SMILES, StructureSearchCategory.IDENTITY, 100, 0.90F); Getting this error with the following Identifier and SMILE: _Identifier{inchi=InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8), inchikey=CBIDRCWHNCKSTO-UHFFFAOYSA-N, smiles=CC(C)=CCOP(O)(=O)OP(O)(O)=O}

Exception in thread "main" com.sun.xml.ws.fault.ServerSOAPFaultException: Client received SOAP Fault from server: java.lang.NullPointerException Please see the server log to find more detail regarding exact cause of the failure. at com.sun.xml.ws.fault.SOAP11Fault.getProtocolException(SOAP11Fault.java:163) at com.sun.xml.ws.fault.SOAPFaultBuilder.createException(SOAPFaultBuilder.java:98) at com.sun.xml.ws.client.sei.StubHandler.readResponse(StubHandler.java:223) at com.sun.xml.ws.db.DatabindingImpl.deserializeResponse(DatabindingImpl.java:176) at com.sun.xml.ws.db.DatabindingImpl.deserializeResponse(DatabindingImpl.java:263) at com.sun.xml.ws.client.sei.SyncMethodHandler.invoke(SyncMethodHandler.java:89) at com.sun.xml.ws.client.sei.SyncMethodHandler.invoke(SyncMethodHandler.java:62) at com.sun.xml.ws.client.sei.SEIStub.invoke(SEIStub.java:131) at jdk.proxy3/jdk.proxy3.$Proxy37.getStructureSearch(Unknown Source) at uk.ac.ebi.chebi.webapps.chebiWS.client.ChebiWebServiceClient.getStructureSearch(ChebiWebServiceClient.java:197)

Trying the web service with the getLiteEntity function and inchi key: CBIDRCWHNCKSTO-UHFFFAOYSA-N, we get this: S:ServerERROR (General): we are having problems with this service... we are trying to rectify the situation.data 0: CBIDRCWHNCKSTO-UHFFFAOYSA-N, data 1: INCHI/INCHI KEY, ERROR (General): we are having problems with this service... we are trying to rectify the situation.

and when trying the function getStructureSearch with the smile: CC(C)=CCOP(O)(=O)OP(O)(O)=O, we get this: S:Serverjava.lang.NullPointerException

Thank you

amalik01 commented 5 months ago

The ChEBI developer is currently taking a look at this issue.

eloyfelix commented 5 months ago

Dear Blanca, we had some issues in the database side of things when your issues ocurred. I understand you're not experiencing this issue anymore. Could you please confirm? Many thanks.

blanca-pueche commented 5 months ago

Thank you so much, it's working now.