Indigo
Indigo copied to clipboard
Java bingo-elastic substructure search cannot use QueryMolecule as target
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>