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1 parent 288be53 commit d844ee8Copy full SHA for d844ee8
src/fluxdiagrams.jl
@@ -42,7 +42,12 @@ function drawspc(spc::Species,path::String=".")
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end
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if spc.adjlist != ""
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- mol = molecule.Molecule().from_adjacency_list(spc.adjlist)
+ _ , cutting_label_list = fragment.Fragment().detect_cutting_label(spc.adjlist)
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+ if isempty(cutting_label_list)
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+ mol = molecule.Molecule().from_adjacency_list(spc.adjlist)
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+ else
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+ mol = fragment.Fragment().from_adjacency_list(spc.adjlist)
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+ end
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elseif spc.inchi != ""
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mol = molecule.Molecule().from_inchi(spc.inchi)
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elseif spc.smiles != ""
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