From cdbf00656eed1964da0b95c355c682e28d9e5e71 Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Fri, 12 Dec 2025 23:34:57 +1100 Subject: [PATCH] make quality of png higher --- generate_rxn_image.py | 12 +++++++++++- reaction.png | Bin 13615 -> 46121 bytes 2 files changed, 11 insertions(+), 1 deletion(-) diff --git a/generate_rxn_image.py b/generate_rxn_image.py index 2a77291..6bfd292 100644 --- a/generate_rxn_image.py +++ b/generate_rxn_image.py @@ -14,9 +14,19 @@ ) rxn = ReactionFromSmarts(thiol_maleimide_click_smarts) -d2d = Draw.MolDraw2DCairo(-1, 150) + +# drawing +dpi = 400 +width_in = 4.0 +height_in = 1.5 +width_px = int(width_in * dpi) +height_px = int(height_in * dpi) + +d2d = Draw.MolDraw2DCairo(width_px, height_px) dopts = d2d.drawOptions() dopts.dummiesAreAttachments = True dopts.padding = 0.0 +dopts.bondLineWidth = dpi / 70 + d2d.DrawReaction(rxn) Path("reaction.png").write_bytes(d2d.GetDrawingText()) diff --git a/reaction.png b/reaction.png index 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