From f572073a01b9accb1fe84c0b76b99d1250209e40 Mon Sep 17 00:00:00 2001 From: Aliaksandr Dziarkach <18146690+AliaksandrDziarkach@users.noreply.github.com> Date: Thu, 19 Oct 2023 18:33:01 +0300 Subject: [PATCH] #1349 Symbol for topology chain is missing in SMARTS file Fix file formating --- api/tests/integration/tests/formats/smarts.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/api/tests/integration/tests/formats/smarts.py b/api/tests/integration/tests/formats/smarts.py index 4df659fd27..24e0a0a2f0 100755 --- a/api/tests/integration/tests/formats/smarts.py +++ b/api/tests/integration/tests/formats/smarts.py @@ -168,5 +168,9 @@ def test_smarts_load_save_through_ket(smarts_in, expected_str): "[C;@@]", '"atoms":[{"label":"C","location":[0.0,0.0,0.0],"queryProperties":{"aromaticity":"aliphatic","chirality":"clockwise"}}]', ) -test_smarts_load_save_through_ket("[#6]-;@[#6]", '"bonds":[{"type":1,"topology":1,"atoms":[0,1]}]') -test_smarts_load_save_through_ket("[#6]-;!@[#6]", '"bonds":[{"type":1,"topology":2,"atoms":[0,1]}]') +test_smarts_load_save_through_ket( + "[#6]-;@[#6]", '"bonds":[{"type":1,"topology":1,"atoms":[0,1]}]' +) +test_smarts_load_save_through_ket( + "[#6]-;!@[#6]", '"bonds":[{"type":1,"topology":2,"atoms":[0,1]}]' +)