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Merge pull request #580 from avcopan/dev
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Fix: Allow signed integers for adj. list charge
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avcopan authored Oct 29, 2024
2 parents 14b00f8 + 0d218b9 commit f459d5d
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion automol/graph/_1rmg.py
Original file line number Diff line number Diff line change
Expand Up @@ -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")
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