From 0d9479c8b3b2e9838c381d1b0735ac6d1aeede96 Mon Sep 17 00:00:00 2001 From: Friederike Biermann Date: Wed, 17 May 2023 14:35:25 +0200 Subject: [PATCH] Fixed bug in hydrolysis reaction Fixed bug in hydrolysis so that the atoms of the original structure are not renamed by adding the water --- pikachu/reactions/basic_reactions.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pikachu/reactions/basic_reactions.py b/pikachu/reactions/basic_reactions.py index 638dc6f..55051ac 100644 --- a/pikachu/reactions/basic_reactions.py +++ b/pikachu/reactions/basic_reactions.py @@ -107,7 +107,7 @@ def hydrolysis(structure, bond): # Break water up into H and OH groups - hydrolysed_structure = combine_structures([structure, water]) + hydrolysed_structure = combine_structures([water,structure]) hydrolysed_structure.break_bond(water_bond) hydrolysed_structure.break_bond(bond)