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fix: update OCL to master branch#247

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targos merged 4 commits intomainfrom
fix-ocl
Feb 6, 2025
Merged

fix: update OCL to master branch#247
targos merged 4 commits intomainfrom
fix-ocl

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@targos targos commented Feb 6, 2025

Refs: Actelion/openchemlib#128

@lpatiny Your test case still fails after the changes.

But it seems that the test is wrong because ocl-utils tests now pass (only failures are timeouts)

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targos commented Feb 6, 2025

⎯⎯⎯⎯⎯⎯⎯ Failed Tests 1 ⎯⎯⎯⎯⎯⎯⎯

 FAIL  __tests__/copy_molecule_by_atoms.test.js > copyMoleculeByAtoms and keep aromaticity
AssertionError: expected 1 to be 2 // Object.is equality

- Expected
+ Received

- 2
+ 1

 ❯ __tests__/copy_molecule_by_atoms.test.js:22:36
     20|   expect(fragment.getAllBonds()).toBe(2);
     21| 
     22|   expect(fragment.getBondOrder(0)).toBe(2);
       |                                    ^
     23|   expect(fragment.isDelocalizedBond(0)).toBe(true);
     24|   expect(fragment.getBondOrder(1)).toBe(1);

@targos targos merged commit 29e9f08 into main Feb 6, 2025
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@targos targos deleted the fix-ocl branch February 6, 2025 15:24
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