epam / epam/Indigo

Seven or eight valence atoms with Dative bonds in the ring cause performance degradation for Add/remove hydrogens operation

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#1,835 1 comment 0 reactions 1 assignee Claimed by @AliaksandrDziarkach View on GitHub
Hydrogens Priority: Medium
Dominant language
C++
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Description

**Steps to Reproduce**
1. Load from file: [Seven or eight valence atoms with Dative bonds in the ring cause performance degradation for Add-remove hydrogens operation.zip](https://github.com/epam/Indigo/files/14627921/Seven.or.eight.valence.atoms.with.Dative.bonds.in.the.ring.cause.performance.degradation.for.Add-remove.hydrogens.operation.zip)
2. Press Add/Remove implicit hydrogens button
![image](https://github.com/epam/Indigo/assets/26869421/4f66076c-19d6-4107-8abf-4d54fa50f92b)

**Actual behavior**
System turns into infinite calculation
(for Valence=7 it took 76 seconds to calculate)
But if you delete one bond (i.e. make it not cycle) - it works very fast
NOTE: For Ring Topology of bonds - it works fast!
NOTE: For Hydrogen bonds - same problem - works extremely slow (but with ring topology - fast)

**Expected behavior**
It works as fast as not cycled molecule with same number of atoms
![image](https://github.com/epam/Indigo/assets/26869421/6e23102c-d890-487f-8a70-bbcc48cfdf61)

**Ketcher version** [e.g. v2.4.2].
- Indigo Toolkit Version 1.18.0.0-g73c32dec3-wasm32-wasm-clang-12.0.0
- Ketcher Version 2.19.0-rc.2 Build at 2024-03-11; 12:30:30
- Chrome Version Version 122.0.6261.112 (Official Build) (64-bit)
- Win10
- Issue found while testing https://github.com/epam/Indigo/issues/1436

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