From 1bd39b2ad2c2de8fbcee004ff0bc7c3408daed95 Mon Sep 17 00:00:00 2001 From: Paolo Tosco Date: Tue, 13 Aug 2024 06:02:49 +0200 Subject: [PATCH] only test InChI functionality if it was built into JS MinimalLib (#7706) Co-authored-by: ptosco --- Code/MinimalLib/tests/tests.js | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/Code/MinimalLib/tests/tests.js b/Code/MinimalLib/tests/tests.js index fdc955d5b..fc438d2b4 100644 --- a/Code/MinimalLib/tests/tests.js +++ b/Code/MinimalLib/tests/tests.js @@ -47,11 +47,14 @@ function test_basics() { var mol = RDKitModule.get_mol("c1ccccc1O"); assert(mol !== null); assert.equal(mol.get_smiles(),"Oc1ccccc1"); - assert.equal(mol.get_inchi(),"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"); - assert.equal(RDKitModule.get_inchikey_for_inchi(mol.get_inchi()),"ISWSIDIOOBJBQZ-UHFFFAOYSA-N"); - - assert.equal(mol.get_inchi("-FixedH"),"InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"); - assert.equal(RDKitModule.get_inchikey_for_inchi(mol.get_inchi("-FixedH")),"ISWSIDIOOBJBQZ-UHFFFAOYNA-N"); + if (typeof Object.getPrototypeOf(mol).get_inchi === 'function') { + assert.equal(mol.get_inchi(),"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"); + assert.equal(mol.get_inchi("-FixedH"),"InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H"); + } + if (typeof RDKitModule.get_inchikey_for_inchi === 'function') { + assert.equal(RDKitModule.get_inchikey_for_inchi(mol.get_inchi("-FixedH")),"ISWSIDIOOBJBQZ-UHFFFAOYNA-N"); + assert.equal(RDKitModule.get_inchikey_for_inchi(mol.get_inchi()),"ISWSIDIOOBJBQZ-UHFFFAOYSA-N"); + } var mb = mol.get_molblock(); assert(mb.search("M END")>0);