From 1ee3db59a217d1120dc22d99d936a7c0d6cd101a Mon Sep 17 00:00:00 2001
From: Joshua Black <j.black@mestrelab.com>
Date: Tue, 4 Feb 2025 12:30:23 +0100
Subject: [PATCH] epam#2748 add regression test with incorrect reference png

---
 .../integration/ref/rendering/basic.py.out    |   2 +
 .../integration/tests/rendering/basic.py      |  11 +
 .../backwards_substituents_2748.cdxml         | 329 ++++++++++++++++++
 .../ref/linux/backwards_substituents_2748.png | Bin 0 -> 7430 bytes
 .../ref/mac/backwards_substituents_2748.png   | Bin 0 -> 7430 bytes
 .../ref/win/backwards_substituents_2748.png   | Bin 0 -> 7430 bytes
 6 files changed, 342 insertions(+)
 create mode 100644 api/tests/integration/tests/rendering/molecules/backwards_substituents_2748.cdxml
 create mode 100644 api/tests/integration/tests/rendering/ref/linux/backwards_substituents_2748.png
 create mode 100644 api/tests/integration/tests/rendering/ref/mac/backwards_substituents_2748.png
 create mode 100644 api/tests/integration/tests/rendering/ref/win/backwards_substituents_2748.png

diff --git a/api/tests/integration/ref/rendering/basic.py.out b/api/tests/integration/ref/rendering/basic.py.out
index dddc112d3f..1d2cfe2ef9 100644
--- a/api/tests/integration/ref/rendering/basic.py.out
+++ b/api/tests/integration/ref/rendering/basic.py.out
@@ -22,3 +22,5 @@ bond-length-options-3.png rendering status: OK
 smart-layout-crown.png rendering status: OK
 ****** Nameless S-Group *****
 sa-mono.png rendering status: OK
+issue 2748 backwards substituents
+backwards_substituents_2748.png rendering status: OK
diff --git a/api/tests/integration/tests/rendering/basic.py b/api/tests/integration/tests/rendering/basic.py
index 7cc904239e..d391db1187 100644
--- a/api/tests/integration/tests/rendering/basic.py
+++ b/api/tests/integration/tests/rendering/basic.py
@@ -162,6 +162,17 @@
 renderer.renderToFile(mol, joinPathPy("out/sa-mono.png", __file__))
 print(checkImageSimilarity("sa-mono.png"))
 
+print("issue 2748 backwards substituents")
+indigo.resetOptions()
+indigo.setOption("render-background-color", "255, 255, 255")
+indigo.setOption("render-output-format", "png")
+fname = "backwards_substituents_2748"
+png_fname = fname + ".png"
+cdxml_fname = joinPathPy("molecules/%s.cdxml" % fname, __file__)
+mol = indigo.loadMoleculeFromFile(cdxml_fname)
+renderer.renderToFile(mol, joinPathPy("out/" + png_fname, __file__))
+print(checkImageSimilarity(png_fname))
+
 if isIronPython():
     renderer.Dispose()
     indigo.Dispose()
diff --git a/api/tests/integration/tests/rendering/molecules/backwards_substituents_2748.cdxml b/api/tests/integration/tests/rendering/molecules/backwards_substituents_2748.cdxml
new file mode 100644
index 0000000000..00fbac226f
--- /dev/null
+++ b/api/tests/integration/tests/rendering/molecules/backwards_substituents_2748.cdxml
@@ -0,0 +1,329 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<!DOCTYPE CDXML SYSTEM "https://static.chemistry.revvitycloud.com/cdxml/CDXML.dtd" >
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+ CreationProgram="ChemDraw 23.1.1.3"
+ Name="backwards_substituents.cdxml"
+ BoundingBox="92.41 313.29 182.87 347"
+ WindowPosition="0 0"
+ WindowSize="-2147483648 0"
+ WindowIsZoomed="yes"
+ FractionalWidths="yes"
+ InterpretChemically="yes"
+ ShowAtomQuery="yes"
+ ShowAtomStereo="no"
+ ShowAtomEnhancedStereo="yes"
+ ShowAtomNumber="no"
+ ShowResidueID="no"
+ ShowBondQuery="yes"
+ ShowBondRxn="yes"
+ ShowBondStereo="no"
+ ShowTerminalCarbonLabels="no"
+ ShowNonTerminalCarbonLabels="no"
+ HideImplicitHydrogens="no"
+ LabelFont="3"
+ LabelSize="10"
+ LabelFace="96"
+ CaptionFont="3"
+ CaptionSize="10"
+ HashSpacing="2.50"
+ MarginWidth="1.60"
+ LineWidth="0.60"
+ BoldWidth="2"
+ BondLength="14.40"
+ BondSpacing="18"
+ ChainAngle="120"
+ LabelJustification="Auto"
+ CaptionJustification="Left"
+ AminoAcidTermini="HOH"
+ ShowSequenceTermini="yes"
+ ShowSequenceBonds="yes"
+ ShowSequenceUnlinkedBranches="no"
+ ResidueWrapCount="40"
+ ResidueBlockCount="10"
+ PrintMargins="36 36 36 36"
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+ ChemPropFormula="Chemical Formula: "
+ ChemPropExactMass="Exact Mass: "
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+ ChemPropBoilingPt="Boiling Point: "
+ ChemPropMeltingPt="Melting Point: "
+ ChemPropCritTemp="Critical Temp: "
+ ChemPropCritPres="Critical Pres: "
+ ChemPropCritVol="Critical Vol: "
+ ChemPropGibbs="Gibbs Energy: "
+ ChemPropLogP="Log P: "
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+ ChemPropHenry="Henry&apos;s Law: "
+ ChemPropEForm="Heat of Form: "
+ ChemProptPSA="tPSA: "
+ ChemPropCLogP="CLogP: "
+ ChemPropCMR="CMR: "
+ ChemPropLogS="LogS: "
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diff --git a/api/tests/integration/tests/rendering/ref/linux/backwards_substituents_2748.png b/api/tests/integration/tests/rendering/ref/linux/backwards_substituents_2748.png
new file mode 100644
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