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#2217 - The wrong direction of the arrows when exporting from CDXML (or CDX, base64 cdx) format and two retrosynthetic arrows #2546

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merged 1 commit into from
Oct 11, 2024
Merged

#2217 - The wrong direction of the arrows when exporting from CDXML (or CDX, base64 cdx) format and two retrosynthetic arrows #2546

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2 changes: 2 additions & 0 deletions api/tests/integration/ref/formats/retrosynthetic_arrow_to_cdxml.py.out
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Original file line number Diff line number Diff line change
Expand Up @@ -12,3 +12,5 @@ input file: ket_two_retro_arrows.ket, reaction type: R1 => R2 => R3
ket_two_retro_arrows.cdxml:SUCCEED
input file: ket_simple_arrow_retro_arrow_sum_of_products.ket, reaction type: R1 -> R2 => R3 + R4
ket_simple_arrow_retro_arrow_sum_of_products.cdxml:SUCCEED
input file: retro_arrow_diagonal.ket, reaction type: retro diagonal
retro_arrow_diagonal.cdxml:SUCCEED
305 changes: 305 additions & 0 deletions api/tests/integration/tests/formats/reactions/retro_arrow_diagonal.ket
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Original file line number Diff line number Diff line change
@@ -0,0 +1,305 @@
{
"root": {
"nodes": [
{
"$ref": "mol0"
},
{
"$ref": "mol1"
},
{
"$ref": "mol2"
},
{
"$ref": "mol3"
},
{
"type": "arrow",
"data": {
"mode": "open-angle",
"pos": [
{
"x": 9.4,
"y": -9.25,
"z": 0
},
{
"x": 9.4,
"y": -12.277581543080219,
"z": 0
}
]
}
},
{
"type": "arrow",
"data": {
"mode": "retrosynthetic",
"pos": [
{
"x": 8.675,
"y": -7.525,
"z": 0
},
{
"x": 5.775,
"y": -4.7250000000000005,
"z": 0
}
]
}
},
{
"type": "arrow",
"data": {
"mode": "retrosynthetic",
"pos": [
{
"x": 14.100000000000001,
"y": -8.25,
"z": 0
},
{
"x": 10.37424504294767,
"y": -8.25,
"z": 0
}
]
}
}
],
"connections": [],
"templates": []
},
"mol0": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
4.42437421436393,
-4.257470415521405,
0
]
},
{
"label": "C",
"location": [
5.42562578563607,
-4.257470415521405,
0
]
},
{
"label": "C",
"location": [
4.925050188048686,
-3.392529584478595,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 1,
"atoms": [
1,
2
]
},
{
"type": 1,
"atoms": [
2,
0
]
}
]
},
"mol1": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
9.932207454738979,
-8.79754874346472,
0
]
},
{
"label": "C",
"location": [
9.92850411466491,
-7.8024512565352815,
0
]
},
{
"label": "C",
"location": [
8.920294802067826,
-8.784637098341616,
0
]
},
{
"label": "C",
"location": [
8.917792545261022,
-7.8024512565352815,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 1,
"atoms": [
1,
3
]
},
{
"type": 1,
"atoms": [
3,
2
]
},
{
"type": 1,
"atoms": [
2,
0
]
}
]
},
"mol2": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
15.241987298107782,
-8.3,
0
]
},
{
"label": "C",
"location": [
16.10801270189222,
-7.800000000000001,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
}
]
},
"mol3": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
9.50005003874321,
-12.654953780749501,
0
]
},
{
"label": "C",
"location": [
10.000437470837886,
-14.1950462192505,
0
]
},
{
"label": "C",
"location": [
10.309676903872397,
-13.248813585159464,
0
]
},
{
"label": "C",
"location": [
8.999662606648531,
-14.1950462192505,
0
]
},
{
"label": "C",
"location": [
8.690323096127603,
-13.248813585159464,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
4
]
},
{
"type": 2,
"atoms": [
4,
3
]
},
{
"type": 1,
"atoms": [
3,
1
]
},
{
"type": 2,
"atoms": [
1,
2
]
},
{
"type": 1,
"atoms": [
2,
0
]
}
]
}
}
2 changes: 1 addition & 1 deletion api/tests/integration/tests/formats/ref/ket_retro_arrow.b64cdx
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@@ -1 +1 @@
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
4 changes: 2 additions & 2 deletions api/tests/integration/tests/formats/ref/ket_retro_arrow.cdxml
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Expand Up @@ -46,8 +46,8 @@
<b id="19" B="10" E="11"/>
<b id="20" B="11" E="12"/>
</fragment>
<arrow id="13" BoundingBox="251.138443 -0.000000 155.138428 -0.000000" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="250.638443 0.000000 0.000000" Tail3D="155.638428 0.000000 0.000000"/>
<graphic id="21" SupersededBy="13" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="250.638443 0.000000 155.638428 0.000000"/>
<arrow id="13" BoundingBox="251.138443 -0.000000 155.138428 -0.000000" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="251.138443 -0.000000 0.000000" Tail3D="155.138428 -0.000000 0.000000"/>
<graphic id="21" SupersededBy="13" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="251.138443 -0.000000 155.138428 -0.000000"/>
<scheme>
<step ReactionStepReactants="4" ReactionStepProducts="9" ReactionStepArrows="21"/>
</scheme>
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2 changes: 1 addition & 1 deletion api/tests/integration/tests/formats/ref/ket_retro_arrow_and_simple_arrow.b64cdx
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@@ -1 +1 @@
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
4 changes: 2 additions & 2 deletions api/tests/integration/tests/formats/ref/ket_retro_arrow_and_simple_arrow.cdxml
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Expand Up @@ -58,8 +58,8 @@
<b id="33" B="16" E="15"/>
<b id="34" B="15" E="14"/>
</fragment>
<arrow id="19" BoundingBox="343.128632 179.100693 291.335754 179.100693" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="342.628632 179.100693 0.000000" Tail3D="291.835754 179.100693 0.000000"/>
<graphic id="35" SupersededBy="19" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="342.628632 179.100693 291.835754 179.100693"/>
<arrow id="19" BoundingBox="343.128632 179.100693 291.335754 179.100693" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="343.128632 179.100693 0.000000" Tail3D="291.335754 179.100693 0.000000"/>
<graphic id="35" SupersededBy="19" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="343.128632 179.100693 291.335754 179.100693"/>
<arrow id="22" BoundingBox="548.343567 174.181381 494.575592 174.181381" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="25" Head3D="548.343567 174.181381 0.000000" Tail3D="494.575592 174.181381 0.000000"/>
<scheme>
<step ReactionStepReactants="4" ReactionStepProducts="13" ReactionStepArrows="35"/>
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2 changes: 1 addition & 1 deletion api/tests/integration/tests/formats/ref/ket_retro_arrow_from_reactant.b64cdx
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@@ -1 +1 @@
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
4 changes: 2 additions & 2 deletions api/tests/integration/tests/formats/ref/ket_retro_arrow_from_reactant.cdxml
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Expand Up @@ -31,8 +31,8 @@
<b id="13" B="6" E="7"/>
<b id="14" B="6" E="8"/>
</fragment>
<arrow id="9" BoundingBox="590.515442 241.919342 571.765442 241.919342" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="590.015442 241.919342 0.000000" Tail3D="572.265442 241.919342 0.000000"/>
<graphic id="15" SupersededBy="9" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="590.015442 241.919342 572.265442 241.919342"/>
<arrow id="9" BoundingBox="590.515442 241.919342 571.765442 241.919342" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="590.515442 241.919342 0.000000" Tail3D="571.765442 241.919342 0.000000"/>
<graphic id="15" SupersededBy="9" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="590.515442 241.919342 571.765442 241.919342"/>
<scheme>
<step ReactionStepReactants="4" ReactionStepArrows="15"/>
</scheme>
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