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Autotests: Display molecules in macro mode: basic structures with atoms and bonds #5960

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AlexeyGirin opened this issue Nov 12, 2024 · 0 comments · Fixed by #5983
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@AlexeyGirin
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AlexeyGirin commented Nov 12, 2024

Source task(s):

  • Display molecules in macro mode: basic structures with atoms and bonds #5359

  • Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode

  • Verify that bond lines between atoms do not overlap in any angle in macro mode

  • Verify that connections between monomers and molecules are maintained correctly in both micro and macro modes

  • Verify that switching between micro and macro modes displays molecules without structural changes

  • Verify that deleting an atom in macro mode removes it along with all connected bonds without distorting the molecule structure

  • Verify that deleting a bond in macro mode removes the bond while maintaining the integrity of the surrounding structure

  • Verify that the structure in macro mode can be saved as a .ket file, and all elements including bonds and atoms are correctly restored when re-loaded

@AlexeyGirin AlexeyGirin added this to the Autotests milestone Nov 12, 2024
AlexeyGirin added a commit that referenced this issue Nov 19, 2024
…ctures with atoms and bonds (#5983)

* Verify that bond lines between atoms do not overlap in any angle in macro mode

* screen

* Verify that connections between monomers and molecules are maintained correctly in both micro and macro modes

* Verify that switching between micro and macro modes displays molecules without structural changes

* Verify that deleting a bond in macro mode removes the bond while maintaining the integrity of the surrounding structure

* Verify that the structure in macro mode can be saved as a .ket file, and all elements including bonds and atoms are correctly restored when re-loaded

* Peptides - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode

* Bases - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode

* CHEMS - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode

* Nucleotide - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode - Part 1

* Nucleotide - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode - Part 2

* Phosphates - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode
and
HELM results correction

* Sugar - Verify that connection points between monomers and molecules can be created by drawing bonds in macro mode

* phosphate fix

* Nucleotide fix

* Peptide fix

* phosphate fix

* Sugar fix

* CHEMs fix

* Bases fix

* Some fixes
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