#2458 - The reaction with catalysts is displayed incorrectly with AC…

…S style setting and after layout (#2637) Co-authored-by: Aliakasndr Dziarkach <[email protected]>
epam · Nov 18, 2024 · 82292ca · 82292ca
1 parent 23bb80b
commit 82292ca
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Showing 4 changed files with 29 additions and 149 deletions.
diff --git a/api/tests/integration/tests/layout/ref/acs_issue_2458.ket b/api/tests/integration/tests/layout/ref/acs_issue_2458.ket
@@ -42,12 +42,12 @@
                     "mode": "open-angle",
                     "pos": [
                         {
-                            "x": 9.8,
+                            "x": 10.008333,
                             "y": 0.0,
                             "z": 0.0
                         },
                         {
-                            "x": 20.216667,
+                            "x": 21.674999,
                             "y": 0.0,
                             "z": 0.0
                         }
@@ -286,8 +286,8 @@
             {
                 "label": "P",
                 "location": [
-                    10.425,
-                    1.333333,
+                    10.668056,
+                    1.402778,
                     0.0
                 ]
             }
@@ -300,8 +300,8 @@
             {
                 "label": "P",
                 "location": [
-                    12.091667,
-                    1.333333,
+                    12.543056,
+                    1.402778,
                     0.0
                 ]
             }
@@ -314,7 +314,7 @@
             {
                 "label": "O",
                 "location": [
-                    9.175,
+                    9.348611,
                     0.0,
                     0.0
                 ]
@@ -328,8 +328,8 @@
             {
                 "label": "O",
                 "location": [
-                    14.591668,
-                    1.333333,
+                    15.390278,
+                    1.402778,
                     0.0
                 ]
             }
@@ -342,8 +342,8 @@
             {
                 "label": "O",
                 "location": [
-                    16.258335,
-                    1.333333,
+                    17.265278,
+                    1.402778,
                     0.0
                 ]
             }
@@ -356,87 +356,87 @@
             {
                 "label": "N",
                 "location": [
-                    21.258333,
+                    22.820831,
                     1.309017,
                     0.0
                 ]
             },
             {
                 "label": "C",
                 "location": [
-                    22.209391,
+                    23.771889,
                     1.0,
                     0.0
                 ]
             },
             {
                 "label": "C",
                 "location": [
-                    20.670547,
+                    22.233047,
                     0.5,
                     0.0
                 ]
             },
             {
                 "label": "C",
                 "location": [
-                    22.209391,
+                    23.771889,
                     -0.0,
                     0.0
                 ]
             },
             {
                 "label": "N",
                 "location": [
-                    23.075417,
+                    24.637915,
                     1.5,
                     0.0
                 ]
             },
             {
                 "label": "N",
                 "location": [
-                    21.258333,
+                    22.820833,
                     -0.309017,
                     0.0
                 ]
             },
             {
                 "label": "C",
                 "location": [
-                    23.075417,
+                    24.637915,
                     -0.5,
                     0.0
                 ]
             },
             {
                 "label": "C",
                 "location": [
-                    23.941441,
+                    25.503941,
                     1.0,
                     0.0
                 ]
             },
             {
                 "label": "N",
                 "location": [
-                    23.941441,
+                    25.503941,
                     0.0,
                     0.0
                 ]
             },
             {
                 "label": "O",
                 "location": [
-                    23.075415,
+                    24.637915,
                     -1.5,
                     0.0
                 ]
             },
             {
                 "label": "N",
                 "location": [
-                    24.807467,
+                    26.369965,
                     1.5,
                     0.0
                 ]
@@ -535,8 +535,8 @@
             {
                 "label": "P",
                 "location": [
-                    17.091669,
-                    1.333333,
+                    18.168055,
+                    1.402778,
                     0.0
                 ]
             }
@@ -549,8 +549,8 @@
             {
                 "label": "O",
                 "location": [
-                    19.591667,
-                    1.333333,
+                    21.015278,
+                    1.402778,
                     0.0
                 ]
             }

diff --git a/core/indigo-core/molecule/src/base_molecule.cpp b/core/indigo-core/molecule/src/base_molecule.cpp
@@ -4535,7 +4535,9 @@ void BaseMolecule::getAtomBoundingBox(int atom_idx, float font_size, LABEL_MODE
     if (font_size <= EPSILON)
         return;
 
-    float symbol_size = font_size * 0.6f;
+    float constexpr WIDTH_FACTOR = 0.7f; // width of font symbols
+
+    float symbol_size = font_size * WIDTH_FACTOR;
 
     if (isPseudoAtom(atom_idx) || isTemplateAtom(atom_idx))
     {

diff --git a/utils/indigo-service/backend/service/tests/api/indigo_test.py b/utils/indigo-service/backend/service/tests/api/indigo_test.py
@@ -1670,128 +1670,6 @@ def test_check_overlap(self):
             result_data["overlapping_atoms"],
         )
 
-    def test_render_eleptical_arrow(self):
-        ket = """{
-    "root": {
-        "nodes": [
-            {
-                "$ref": "mol0"
-            },
-            {
-                "$ref": "mol1"
-            },
-            {
-                "$ref": "mol2"
-            },
-            {
-                "type": "arrow",
-                "data": {
-                    "mode": "elliptical-arc-arrow-open-angle",
-                    "pos": [
-                        {
-                            "x": 5.799999999999997,
-                            "y": -8.200000000000003,
-                            "z": 0
-                        },
-                        {
-                            "x": 7.205569279687058,
-                            "y": -8.200000000000003,
-                            "z": 0
-                        }
-                    ],
-                    "height": 1
-                }
-            },
-            {
-                "type": "arrow",
-                "data": {
-                    "mode": "open-angle",
-                    "pos": [
-                        {
-                            "x": 7.775,
-                            "y": -8.225,
-                            "z": 0
-                        },
-                        {
-                            "x": 8.875,
-                            "y": -8.225,
-                            "z": 0
-                        }
-                    ]
-                }
-            },
-            {
-                "type": "plus",
-                "location": [
-                    6.525,
-                    -8.225,
-                    0
-                ],
-                "prop": {}
-            }
-        ],
-        "connections": [],
-        "templates": []
-    },
-    "mol0": {
-        "type": "molecule",
-        "atoms": [
-            {
-                "label": "N",
-                "location": [
-                    5.749999999999999,
-                    -8.350000000000001,
-                    0
-                ]
-            }
-        ]
-    },
-    "mol1": {
-        "type": "molecule",
-        "atoms": [
-            {
-                "label": "O",
-                "location": [
-                    7.3999999999999995,
-                    -8.3,
-                    0
-                ]
-            }
-        ]
-    },
-    "mol2": {
-        "type": "molecule",
-        "atoms": [
-            {
-                "label": "C",
-                "location": [
-                    9.15,
-                    -8.3,
-                    0
-                ]
-            }
-        ]
-    }
-}"""
-        ref_path = joinPathPy("ref/", __file__)
-        headers, data = self.get_headers(
-            {
-                "output_format": "image/png",
-                "struct": ket,
-            }
-        )
-        result = requests.post(
-            self.url_prefix + "/render",
-            headers=headers,
-            data=data,
-        )
-        fname = "render-eleptical-arrow.png"
-        # with open(os.path.join(ref_path, fname), "wb") as file:
-        #     file.write(result.content)
-        with open(os.path.join(ref_path, fname), "rb") as file:
-            ref = file.read()
-            self.assertEqual(result.content, ref)
-
     def test_check_stereo(self):
         # up
         headers, data = self.get_headers(

diff --git a/utils/indigo-service/backend/service/tests/api/ref/render-eleptical-arrow.png b/utils/indigo-service/backend/service/tests/api/ref/render-eleptical-arrow.png