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Backmerge: #2447 - Preview: single up and single down bonds are displayed incorrect when save to PNG(svg) #2489

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merged 2 commits into from
Oct 4, 2024
Merged

Backmerge: #2447 - Preview: single up and single down bonds are displayed incorrect when save to PNG(svg) #2489

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ce93966
Backmerge: #2447 - Preview: single up and single down bonds are displ…
AliaksandrDziarkach Oct 4, 2024
275a674
Fix UT
AliaksandrDziarkach Oct 4, 2024
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2 changes: 2 additions & 0 deletions api/tests/integration/ref/rendering/acs_style.py.out
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Original file line number Diff line number Diff line change
Expand Up @@ -2,3 +2,5 @@
acs_style_default.png rendering status: OK
****** Changed ACS settings *****
acs_style_changed.png rendering status: OK
****** Issue 2447 wrong stereobond width *****
issue_2447.png rendering status: OK
21 changes: 20 additions & 1 deletion api/tests/integration/tests/rendering/acs_style.py
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Expand Up @@ -64,12 +64,31 @@
indigo.setOption("bond-length", "1.2")
indigo.setOption("bond-length-unit", "inch")
indigo.setOption("render-bond-spacing", "0.5")
indigo.setOption("render-hash-spacing", "15")
indigo.setOption("render-hash-spacing", "10")
indigo.setOption("render-stereo-bond-width", "30")
indigo.setOption("render-font-size", "20")
renderer.renderToFile(mol, joinPathPy("out/acs_style_changed.png", __file__))
print(checkImageSimilarity("acs_style_changed.png"))

print("****** Issue 2447 wrong stereobond width *****")
indigo.resetOptions()
indigo.setOption("render-output-format", "png")
indigo.setOption("ignore-stereochemistry-errors", "true")
indigo.setOption("bond-length-unit", "px")
indigo.setOption("bond-length", "40")
indigo.setOption("render-bond-thickness", "2")
indigo.setOption("render-bond-thickness-unit", "px")
indigo.setOption("render-stereo-bond-width", "6")
indigo.setOption("render-stereo-bond-width-unit", "px")
indigo.setOption("render-hash-spacing", "1.2")
indigo.setOption("render-hash-spacing-unit", "px")
name = "issue_2447"
fname = name + ".ket"
mol = indigo.loadMoleculeFromFile(joinPathPy("molecules/" + fname, __file__))
pngname = name + ".png"
renderer.renderToFile(mol, joinPathPy("out/" + pngname, __file__))
print(checkImageSimilarity(pngname))

if isIronPython():
renderer.Dispose()
indigo.Dispose()
142 changes: 142 additions & 0 deletions api/tests/integration/tests/rendering/molecules/issue_2447.ket
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@@ -0,0 +1,142 @@
{
"root": {
"nodes": [
{
"$ref": "mol0"
}
],
"connections": [],
"templates": []
},
"mol0": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
9.625074417174607,
-10.015150847871434,
0
]
},
{
"label": "C",
"location": [
9.624589229177204,
-8.284849152128567,
0
]
},
{
"label": "C",
"location": [
9.124966888850187,
-9.148362490508761,
0
],
"stereoLabel": "abs"
},
{
"label": "C",
"location": [
10.625532067822148,
-8.284849152128567,
0
]
},
{
"label": "C",
"location": [
10.630020056798138,
-10.015150847871434,
0
]
},
{
"label": "C",
"location": [
11.125033111149811,
-9.146179144520442,
0
],
"stereoLabel": "abs"
},
{
"label": "C",
"location": [
8.12496707469278,
-9.147752830642434,
0
]
},
{
"label": "C",
"location": [
12.125025670104101,
-9.142321420314348,
0
]
}
],
"bonds": [
{
"type": 2,
"atoms": [
2,
0
]
},
{
"type": 1,
"atoms": [
0,
4
]
},
{
"type": 2,
"atoms": [
4,
5
]
},
{
"type": 1,
"atoms": [
5,
3
]
},
{
"type": 2,
"atoms": [
3,
1
]
},
{
"type": 1,
"atoms": [
1,
2
]
},
{
"type": 1,
"atoms": [
2,
6
],
"stereo": 6
},
{
"type": 1,
"atoms": [
5,
7
],
"stereo": 1
}
]
}
}
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Binary file added api/tests/integration/tests/rendering/ref/mac/issue_2447.png
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Binary file added api/tests/integration/tests/rendering/ref/win/issue_2447.png
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2 changes: 1 addition & 1 deletion core/render2d/render_common.h
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Original file line number Diff line number Diff line change
Expand Up @@ -443,7 +443,7 @@ namespace indigo
float graphItemSignLineWidth;
float graphItemPlusEdge;
float stereoBondSpace;
float hashSpacing;
float hashSpacing = -1;

float fzz[FONT_SIZE_COUNT];

Expand Down
2 changes: 1 addition & 1 deletion core/render2d/src/render_common.cpp
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Expand Up @@ -309,7 +309,7 @@ void RenderSettings::init(float relativeThickness, float bondLineWidthFactor, Ac
if (acs->stereoBondWidthAngstrom > 0)
stereoBondSpace = acs->stereoBondWidthAngstrom / 2.0f;
if (acs->hashSpacingAngstrom > 0)
hashSpacing = acs->hashSpacingAngstrom;
hashSpacing = acs->hashSpacingAngstrom + bondLineWidth;
}
static constexpr float TWO_DIV_THREE = 2.0f / 3.0f;
fzz[FONT_SIZE_LABEL] = label_font_size;
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7 changes: 3 additions & 4 deletions core/render2d/src/render_context.cpp
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Expand Up @@ -129,12 +129,11 @@ RenderContext::RenderContext(const RenderOptions& ropt, float relativeThickness,
if (ropt.fontSizeSub > 0)
acs.fontSizeSubAngstrom = UnitsOfMeasure::convertToPx(ropt.fontSizeSub, ropt.fontSizeSubUnit, ropt.ppi) / ropt.bond_length_px;
if (ropt.bondThickness > 0)
acs.bondThicknessAngstrom = UnitsOfMeasure::convertToPx(ropt.bondThickness, ropt.bondThicknessUnit, ropt.ppi) / LayoutOptions::DEFAULT_BOND_LENGTH_PX;
acs.bondThicknessAngstrom = UnitsOfMeasure::convertToPx(ropt.bondThickness, ropt.bondThicknessUnit, ropt.ppi) / ropt.bond_length_px;
if (ropt.stereoBondWidth > 0)
acs.stereoBondWidthAngstrom =
UnitsOfMeasure::convertToPx(ropt.stereoBondWidth, ropt.stereoBondWidthUnit, ropt.ppi) / LayoutOptions::DEFAULT_BOND_LENGTH_PX;
acs.stereoBondWidthAngstrom = UnitsOfMeasure::convertToPx(ropt.stereoBondWidth, ropt.stereoBondWidthUnit, ropt.ppi) / ropt.bond_length_px;
if (ropt.hashSpacing > 0)
acs.hashSpacingAngstrom = UnitsOfMeasure::convertToPx(ropt.hashSpacing, ropt.hashSpacingUnit, ropt.ppi) / LayoutOptions::DEFAULT_BOND_LENGTH_PX;
acs.hashSpacingAngstrom = UnitsOfMeasure::convertToPx(ropt.hashSpacing, ropt.hashSpacingUnit, ropt.ppi) / ropt.bond_length_px;
if (ropt.bondSpacing > 0)
acs.bondSpacing = ropt.bondSpacing;
_settings.init(relativeThickness, bondLineWidthFactor, &acs);
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5 changes: 3 additions & 2 deletions core/render2d/src/render_internal.cpp
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Expand Up @@ -4015,13 +4015,14 @@ void MoleculeRenderInternal::_bondSingle(BondDescr& bd, const BondEnd& be1, cons
else if (bd.stereodir == BOND_DOWN)
{
int constexpr min_count = 4;
if (_settings.hashSpacing > 0 && (int)(len / _settings.hashSpacing) > min_count)
auto count = len / (_settings.hashSpacing > 0 ? _settings.hashSpacing : (lw * 2));
if (_settings.hashSpacing > 0 && count > min_count)
{
_cw.fillQuadStripesSpacing(r0, l0, r, l, _settings.hashSpacing);
}
else
{
int stripeCnt = std::max((int)((len) / lw / 2), min_count);
int stripeCnt = std::max((int)count, min_count);
_cw.fillQuadStripes(r0, l0, r, l, stripeCnt);
}
}
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