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Java bingo-elastic substructure search cannot use QueryMolecule as target

Open khyurri opened this issue 2 years ago • 2 comments

Steps to Reproduce

var indigoObject = indigo.loadQueryMolecule(smiles);
var target = new IndigoRecordMolecule.IndigoRecordBuilder()
        .withIndigoObject(indigoObject).build();

Expected behavior We're expecting, that target will be loaded and used by SubstructureSearch

Actual behavior

com.epam.indigo.IndigoException: core: <query molecule> is not a molecule
    at com.epam.indigo.Indigo.checkResult(Indigo.java:103) ~[indigo-1.7.0.jar:na]
    at com.epam.indigo.IndigoObject.serialize(IndigoObject.java:1427) ~[indigo-1.7.0.jar:na]
    at com.epam.indigo.model.IndigoRecord$IndigoRecordBuilder.withIndigoObject(IndigoRecord.java:92) ~[bingo-elastic-1.7.0.jar:na]

Indigo/Bingo version

<dependency>
    <groupId>com.epam.indigo</groupId>
    <artifactId>bingo-elastic</artifactId>
    <version>1.7.0</version>
</dependency>

khyurri avatar Jul 27 '22 12:07 khyurri