From 74637806dfe06e8ebee6c6b42fbb1f07e55a4830 Mon Sep 17 00:00:00 2001 From: Aliaksandr Dziarkach <18146690+AliaksandrDziarkach@users.noreply.github.com> Date: Wed, 2 Aug 2023 11:52:54 +0300 Subject: [PATCH] Fix integration test deco/deco_sdf --- api/tests/integration/ref/deco/deco_sdf.py.out | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/api/tests/integration/ref/deco/deco_sdf.py.out b/api/tests/integration/ref/deco/deco_sdf.py.out index 7039434b14..a8c0b32543 100644 --- a/api/tests/integration/ref/deco/deco_sdf.py.out +++ b/api/tests/integration/ref/deco/deco_sdf.py.out @@ -29762,7 +29762,7 @@ $END MOL mapped scaffold: OCC1OC(O)C(O)C(O)C1O RGROUP #1 - fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$,SgD:5:MRV_IMPLICIT_H:IMPL_H1::: :| + fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$| C1(COP(=O)(O)O)C(O)C(C(O)C(OP(=O)(O)O)O1)O.C1CCCCC1N.C1CCCCC1N.C1CCCCC1N.C1CCCCC1N.O |ha:0,1,2,7,8,9,10,11,12,13,18,19,hb:0,1,6,7,8,9,10,11,12,17,18,19| decomposed molecule: OC1C(O)C(O%91)OC(CO%92)C1O.[*:3]%92.[*:1]%91 |$;;;;;;;;;;;;_R3;_R1$,RG:_R1={OP%91(O)=O.[*:1]%91 |$;;;;_AP1$|},_R3={OP%91(O)=O.[*:1]%91 |$;;;;_AP1$|}| decomposed molecule: $MDL REV 1 0100000000 @@ -48077,7 +48077,7 @@ $END MOL mapped scaffold: OCC1OC(O)C(O)C(O)C1O RGROUP #1 - fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$,SgD:5:MRV_IMPLICIT_H:IMPL_H1::: :| + fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$| RGROUP #2 fragment #0: OC1C(O)C(OC(CO)C1O)OC1C(CO)OC%91C(O)C1O.[*:1]%91 |$;;;;;;;;;;;;;;;;;;;;;;_AP1$| C1(CO)(OC(C(O)C1OC1C(O)C(C(O)C(CO)O1)O)CO)OC1C(O)C(C(O)C(CO)O1)O.O |ha:22,23,24,25,26,27,28,29,30,31,32,33,hb:24,25,26,27,28,29,30,31,32,33,34,35|