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#2748 Substituents are displayed backwards if appearing on the left of the molecule #2753

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#2748 Substituents are displayed backwards if appearing on the left of the molecule #2753

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3e5fb3b
epam#2748 reverse s group label if it appears on the left of the mole…
jblack-mestre Feb 4, 2025
6ba2ad0
epam#2748 check pseudo label exists
jblack-mestre Feb 4, 2025
1ee3db5
epam#2748 add regression test with incorrect reference png
jblack-mestre Feb 4, 2025
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2 changes: 2 additions & 0 deletions api/tests/integration/ref/rendering/basic.py.out
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Original file line number Diff line number Diff line change
Expand Up @@ -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
11 changes: 11 additions & 0 deletions api/tests/integration/tests/rendering/basic.py
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Expand Up @@ -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()
329 changes: 329 additions & 0 deletions api/tests/integration/tests/rendering/molecules/backwards_substituents_2748.cdxml
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@@ -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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Name="backwards_substituents.cdxml"
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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"
MacPrintInfo="0003000001200120000000000B6608A0FF84FF880BE309180367052703FC0002000001200120000000000B6608A0000100000064000000010001010100000001270F000100010000000000000000000000000002001901900000000000600000000000000000000100000000000000000000000000000000"
ChemPropName=""
ChemPropFormula="Chemical Formula: "
ChemPropExactMass="Exact Mass: "
ChemPropMolWt="Molecular Weight: "
ChemPropMOverZ="m/z: "
ChemPropAnalysis="Elemental Analysis: "
ChemPropBoilingPt="Boiling Point: "
ChemPropMeltingPt="Melting Point: "
ChemPropCritTemp="Critical Temp: "
ChemPropCritPres="Critical Pres: "
ChemPropCritVol="Critical Vol: "
ChemPropGibbs="Gibbs Energy: "
ChemPropLogP="Log P: "
ChemPropMR="MR: "
ChemPropHenry="Henry&apos;s Law: "
ChemPropEForm="Heat of Form: "
ChemProptPSA="tPSA: "
ChemPropCLogP="CLogP: "
ChemPropCMR="CMR: "
ChemPropLogS="LogS: "
ChemPropPKa="pKa: "
ChemPropID=""
ChemPropFragmentLabel=""
color="0"
bgcolor="1"
RxnAutonumberStart="1"
RxnAutonumberConditions="no"
RxnAutonumberStyle="Roman"
RxnAutonumberFormat="(#)"
MonomerRenderingStyle="graphic"
><colortable>
<color r="1" g="1" b="1"/>
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<color r="1" g="0" b="0"/>
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</colortable><fonttable>
<font id="3" charset="iso-8859-1" name="Arial"/>
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BoundingBox="0 0 540 719.75"
HeaderPosition="36"
FooterPosition="36"
PrintTrimMarks="yes"
HeightPages="1"
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NeedsClean="yes"
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NodeType="ExternalConnectionPoint"
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BondCircularOrdering="22 26 0 18"
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Binary file added api/tests/integration/tests/rendering/ref/mac/backwards_substituents_2748.png
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1 change: 1 addition & 0 deletions core/render2d/render_internal.h
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Expand Up @@ -133,6 +133,7 @@ namespace indigo
void _preparePseudoAtom(int aid, int color, bool highlighted);
void _prepareChargeLabel(int aid, int color, bool highlighted);
void _prepareLabelText(int aid);
void _reverseLabelText(const int aid);
void _prepareAAM();
int _pushTextItem(RenderItem::TYPE type, int color, bool highlighted);
int _pushTextItem(AtomDesc& ad, RenderItem::TYPE type, int color, bool highlighted);
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