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New StructureData should support the old import/export methods #59

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mikibonacci opened this issue Dec 12, 2024 · 0 comments
Open
10 of 11 tasks

New StructureData should support the old import/export methods #59

mikibonacci opened this issue Dec 12, 2024 · 0 comments
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mikibonacci commented Dec 12, 2024 •
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  • How people use the StructureData ? visualization, export, import...

methods to be supported:

  • get_cif
  • _get_object_phonopyatoms
  • _prepare_cif
  • _prepare_xsf
  • _validate
  • _prepare_chemdoodle
  • _prepare_xyz
  • _parse_xyz
  • _adjust_default_cell
  • CifData

Then:

  • add the corresponding documentation pages to explain how to use these methods, or at list to tell the user that they exist.
@mikibonacci mikibonacci changed the title functionalities from the old orm should be also in the atomistic one New StructureData should support the old import/export methods Jan 20, 2025
@mikibonacci mikibonacci mentioned this issue Jan 20, 2025
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@mikibonacci mikibonacci added enhancement New feature or request and removed enhancement New feature or request labels Feb 2, 2025
@mikibonacci mikibonacci self-assigned this Feb 2, 2025
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