Turn on the large molecules flag in InChI Universal SMILES numbers. #979
Conversation
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Whoops I forgot the workflows run with a smaller stack... could increase the stack or use a smaller example :-) |
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Grr... ok -Xss needed :-) |
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Hi @mjw99 do you know how to change the JVM stack size in the github workflow? I thought I could just put it in |
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OK we good now, surefire (maven test engine) argLine did the trick. |
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Kudos, SonarCloud Quality Gate passed! |
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nevermind, it's small :) |
| @@ -88,6 +89,28 @@ void bispropenyloctatriene() throws Exception { | |||
| "C\\C=C/C(/C=C/C)=C(/C=C/C)\\C=C/C"); | |||
| } | |||
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| @Test | |||
| public void testLargeMoleculeCanon() throws CDKException { | |||
| SmilesParser smipar = new SmilesParser(DefaultChemObjectBuilder.getInstance()); | |||
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Oh, actually, it's a really small patch.
Is the use of the DefaultChemObjectBuilder important here?
Apologies, I've only just seen this. |
Fixes #974