From 0d218b976e5c3556401dca3ca9f92eb42d53e32a Mon Sep 17 00:00:00 2001 From: Andreas Copan Date: Mon, 28 Oct 2024 16:57:23 -0400 Subject: [PATCH] Fix: Allow signed integers for adj. list charge --- automol/graph/_1rmg.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/automol/graph/_1rmg.py b/automol/graph/_1rmg.py index 17a84072..d84f0a50 100644 --- a/automol/graph/_1rmg.py +++ b/automol/graph/_1rmg.py @@ -13,7 +13,7 @@ SYMBOL = pp.Word(pp.alphas, max=2)("symbol") UNPAIRED = pp.Suppress("u") + ppc.integer("u") PAIRED = pp.Suppress("p") + ppc.integer("p") -CHARGE = pp.Suppress("c") + ppc.integer("c") +CHARGE = pp.Suppress("c") + ppc.signed_integer("c") BOND_ORDER = pp.Char(BOND_ORDER_DCT.keys())("bond_order") BOND = pp.Suppress("{") + KEY + pp.Suppress(",") + BOND_ORDER + pp.Suppress("}") BONDS = pp.OneOrMore(pp.Group(BOND))("bonds")