From fd92d07f57487f8e131e4e8a260d4511a846ba3a Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Mon, 16 Sep 2024 15:56:19 -0700 Subject: [PATCH] Draw Radicals on Groups Draw radical on Groups --- rmgpy/molecule/group.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/rmgpy/molecule/group.py b/rmgpy/molecule/group.py index 1dc56cc7f7..edb961a9e4 100644 --- a/rmgpy/molecule/group.py +++ b/rmgpy/molecule/group.py @@ -1239,6 +1239,8 @@ def draw(self, file_format): for index, atom in enumerate(self.atoms): atom_type = '{0!s} {1!s} '.format(index+1, atom.label if atom.label != '' else '') atom_type += ','.join([at.label for at in atom.atomtype]) + if len(atom.radical_electrons) == 1 and atom.radical_electrons[0] == 1: + atom_type += 'ยท' atom_type = '"' + atom_type + '"' graph.add_node(pydot.Node(name=str(index + 1), label=atom_type, fontname="Helvetica", fontsize="16")) for atom1 in self.atoms: