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#927: ketcher generate wrong *.ket format while processing reactants and catalysts #1226

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#927: ketcher generate wrong *.ket format while processing reactants and catalysts #1226

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1 change: 1 addition & 0 deletions api/tests/integration/ref/rendering/reactants_catalysts.py.out
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Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
reactants_catalysts.png rendering status: OK
32 changes: 32 additions & 0 deletions api/tests/integration/tests/rendering/reactants_catalysts.py
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Original file line number Diff line number Diff line change
@@ -0,0 +1,32 @@
import errno
import os
import sys

sys.path.append(
os.path.normpath(
os.path.join(os.path.abspath(__file__), "..", "..", "..", "common")
)
)
from env_indigo import * # noqa
from rendering import *

if not os.path.exists(joinPathPy("out", __file__)):
try:
os.makedirs(joinPathPy("out", __file__))
except OSError as e:
if e.errno != errno.EEXIST:
raise

indigo = Indigo()
renderer = IndigoRenderer(indigo)

rea = indigo.loadReactionFromFile(
joinPathPy("reactions/reactants_catalysts.ket", __file__)
)
indigo.setOption("render-output-format", "png")
renderer.renderToFile(rea, joinPathPy("out/reactants_catalysts.png", __file__))
print(checkImageSimilarity("reactants_catalysts.png"))

if isIronPython():
renderer.Dispose()
indigo.Dispose()
314 changes: 314 additions & 0 deletions api/tests/integration/tests/rendering/reactions/reactants_catalysts.ket
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Original file line number Diff line number Diff line change
@@ -0,0 +1,314 @@
{
"root": {
"nodes": [
{
"$ref": "mol0"
},
{
"$ref": "mol1"
},
{
"$ref": "mol2"
},
{
"$ref": "mol3"
},
{
"type": "arrow",
"data": {
"mode": "open-angle",
"pos": [
{
"x": 3.762229427795525,
"y": -5.60919196487642,
"z": 0
},
{
"x": 7.212229427795526,
"y": -5.584191964876419,
"z": 0
}
]
}
},
{
"type": "plus",
"location": [
-3.7627705722044764,
-5.584191964876419,
0
],
"prop": {}
}
]
},
"mol0": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
-6.794436882534505,
-6.060437271653115,
0
]
},
{
"label": "C",
"location": [
-6.794235922203033,
-5.0579466580997225,
0
]
},
{
"label": "C",
"location": [
-6.089066119064041,
-4.352676374794996,
0
]
},
{
"label": "C",
"location": [
-6.088865158732569,
-6.76580803512358,
0
]
},
{
"label": "C",
"location": [
-5.086475025344912,
-6.76580803512358,
0
]
},
{
"label": "C",
"location": [
-4.381104261874448,
-6.060437271653115,
0
]
},
{
"label": "C",
"location": [
-4.381204742040184,
-5.0579466580997225,
0
]
},
{
"label": "C",
"location": [
-5.086475025344912,
-4.3525758946292585,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 1,
"atoms": [
1,
2
]
},
{
"type": 1,
"atoms": [
0,
3
]
},
{
"type": 1,
"atoms": [
3,
4
]
},
{
"type": 1,
"atoms": [
4,
5
]
},
{
"type": 1,
"atoms": [
5,
6
]
},
{
"type": 1,
"atoms": [
6,
7
]
},
{
"type": 1,
"atoms": [
7,
2
]
}
]
},
"mol1": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
-1.6957832740966954,
-5.48419196487642,
0
]
},
{
"label": "C",
"location": [
-0.8297578703122561,
-4.98419196487642,
0
]
},
{
"label": "O",
"location": [
0.036267533472182256,
-5.484191964876421,
0
],
"charge": -1
},
{
"label": "O",
"location": [
-0.8297578703122552,
-3.9841919648764197,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 1,
"atoms": [
1,
2
]
},
{
"type": 2,
"atoms": [
1,
3
]
}
]
},
"mol2": {
"type": "molecule",
"atoms": [
{
"label": "Na",
"location": [
1.3872294277955246,
-5.709191964876419,
0
],
"charge": 1
}
]
},
"mol3": {
"type": "molecule",
"atoms": [
{
"label": "C",
"location": [
10.344436882534504,
-5.431740708341137,
0
]
},
{
"label": "C",
"location": [
10.340733542460436,
-4.4366432214117,
0
]
},
{
"label": "C",
"location": [
9.33252422986335,
-5.418829063218034,
0
]
},
{
"label": "C",
"location": [
9.330021973056548,
-4.4366432214117,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 1,
"atoms": [
0,
2
]
},
{
"type": 1,
"atoms": [
1,
3
]
},
{
"type": 1,
"atoms": [
2,
3
]
}
]
}
}
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Binary file added api/tests/integration/tests/rendering/ref/mac/reactants_catalysts.png
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Binary file added api/tests/integration/tests/rendering/ref/win/reactants_catalysts.png
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