Closed Michel-Heinz closed 2 months ago
The recent updates in the Molara software focus on enhancing molecule handling capabilities. The changes include supporting multiple structures in a file in importer.py
and adding a draw_bonds
option in molecule.py
for improved visualization.
File Path | Change Summary |
---|---|
.../Structure/io/importer.py |
Modified to handle multiple structures in XYZ files by adjusting molecule reading logic. |
.../Structure/molecule.py |
Added draw_bonds parameter to Molecule constructor for enabling bond drawing. |
🐇🌟✨ In the realm of code, where logic is king, A rabbit hopped through, making updates sing. Bonds that draw, and molecules align, In files so neat, the changes combine. Cheers to the craft, where structures refine! 🌟✨🐇
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Project coverage is 71.81%. Comparing base (
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Fix missing atoms when importing trajectories