Added all PR Into One #990
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defined the SiteType enum and AtomArrangementItem dataclass to handle the coordinates and site types, ensuring validations. AtomArrangement Class: The class initializes with an empty list of sites. Add Method: Adds a coordinate to the arrangement with a site type. Retrieves a list of coordinates for a given index. Rounds coordinates to the nearest multiple of the given resolution. Factory Methods: Methods for creating square and rectangular lattice arrangements. Demonstrates creating a square lattice with specified boundary points and lattice constant.
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Please consolidate the work to this PR: #989 |
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Issue #, if available:
fixes #969
Description of changes:
added all the PRs including test into one PR
Testing done:
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