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Subclasses of StructureModModel #92

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marcelmbn opened this issue Nov 28, 2024 · 0 comments
Open

Subclasses of StructureModModel #92

marcelmbn opened this issue Nov 28, 2024 · 0 comments
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@jonathan-schoeps

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@marcelmbn
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Translation

  • should be put in abstract class so that all operations can use it
  • move along, e.g., x axis by a value that is larger than the smallest (highest negative) x coordinate in the molecule

Mirroring

  • change sign of x
  • could also be done via matrix operation on coordinates

Inversion

  • change sign of all coordinates in all dimensions
  • could also be done via matrix operation on coordinates

C2(n) rotations

  • take from TF
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