epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
295 stars 100 forks source link

System show A-atom hanging outside of abbreviation (it should be inside) #1688

Open AlexeyGirin opened 6 months ago

AlexeyGirin commented 6 months ago

Steps to Reproduce

  1. Click Open... button (Ctrl+O)
  2. Select open from file
  3. Select file: Hanging A-atom.pptx
  4. Click Open as New Project

Actual behavior System show A-atom hanging outside of abbreviation image

Expected behavior A-atom should be inside image

Environment details:

AlexeyGirin commented 6 months ago

KET:

{
    "root": {
        "nodes": [
            {
                "$ref": "mol0"
            }
        ],
        "connections": [],
        "templates": []
    },
    "mol0": {
        "type": "molecule",
        "atoms": [
            {
                "label": "T",
                "location": [
                    22.00898681060599,
                    -11.237510542280415,
                    0
                ]
            },
            {
                "label": "B",
                "location": [
                    22.874999487405912,
                    -10.737271792926594,
                    0
                ]
            },
            {
                "label": "A",
                "location": [
                    23.741013223151462,
                    -11.237510542280415,
                    0
                ]
            },
            {
                "label": "F",
                "location": [
                    22.874999487405912,
                    -9.73748946087569,
                    0
                ]
            }
        ],
        "bonds": [
            {
                "type": 1,
                "atoms": [
                    1,
                    2
                ]
            },
            {
                "type": 1,
                "atoms": [
                    1,
                    3
                ]
            },
            {
                "type": 1,
                "atoms": [
                    0,
                    1
                ]
            }
        ],
        "sgroups": [
            {
                "type": "SUP",
                "atoms": [
                    0,
                    1,
                    3
                ],
                "name": "TBAF",
                "id": 0
            }
        ],
        "stereoFlagPosition": {
            "x": 23.741013223151462,
            "y": 8.73748946087569,
            "z": 0
        }
    }
}
AlexeyGirin commented 5 months ago

Moved to 1.20 since not critical for the release (after discussion with @vanoprenko)

AlexeyGirin commented 4 months ago

Moved to Refined Backlog since no fix over 2 versions