Indigo
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Unable to add hydrogens for aromatic bonds outside the ring - system throws exception
Environment details (please complete the following information):
- Indigo Toolkit Version 1.18.0-rc.3.0-ge65b5cde3-x86_64-linux-gnu-11.2.1
- Ketcher Version 2.18.0-rc.2 Build at 2024-01-17; 16:42:55
- Chrome Version 120.0.6099.130 (Official Build) (64-bit)
- Win10
- Issue found while testing https://github.com/epam/Indigo/issues/1436
Describe the bug Unable to add hydrogens for aromatic bonds outside the ring - system throws exception
Steps to Reproduce
- Load from file: Unable to add hydrogens for aromatic bonds outside the ring - system throws exception.zip (unzip first)
- Press Add/Remove explicit hydrogens button
Actual behavior
System throws exception: IndigoException: element: can not calculate implicit hydrogens on aromatic C, charge 0, degree 1, 0 radical electrons
uat.test.lifescience.opensource.epam.com-1705525259112.log
Expected behavior
This is not query related issue. If you add 'aromatic' for any atom to use query molecule mode you can see that it will work
I have no idea why "aromatic" bond placed in query bonds in ketcher. This is just a normal bond like single/double/triple. For example: if you add cyclohexane and change all bonds to aromatic - after change last bond to aromatic it will be re-drawn as aromatic benzene.
Should not throw exceptopn
No exception now - good, but works wrong (Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0)
Actual behavior:
Expected behavior:
MOved to RC7 as per @vanoprenko decision
MOved to 1.19 as per @vanoprenko decision
MOved to https://github.com/epam/Indigo/issues/1915