Issue #, if available:
fixes #969
Description of changes:
AtomArrangementItem Dataclass: Represents an individual item (atom) in the lattice, including its coordinate and site type.
AtomArrangement Class: Manages a collection of AtomArrangementItem objects, allowing addition of atoms, iteration, and retrieval of coordinate lists.
Factory Methods:
from_decorated_bravais_lattice: Creates a lattice with specific decoration points.
from_honeycomb_lattice: Creates a honeycomb lattice using specific lattice vectors and decoration points.
from_bravais_lattice: Creates a simple Bravais lattice without additional decoration points.
Example Usage: Demonstrates how to create a honeycomb lattice with a specified canvas boundary.
Testing done:
not done
Merge Checklist
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Issue #, if available: fixes #969 Description of changes: AtomArrangementItem Dataclass: Represents an individual item (atom) in the lattice, including its coordinate and site type. AtomArrangement Class: Manages a collection of AtomArrangementItem objects, allowing addition of atoms, iteration, and retrieval of coordinate lists. Factory Methods: from_decorated_bravais_lattice: Creates a lattice with specific decoration points. from_honeycomb_lattice: Creates a honeycomb lattice using specific lattice vectors and decoration points. from_bravais_lattice: Creates a simple Bravais lattice without additional decoration points. Example Usage: Demonstrates how to create a honeycomb lattice with a specified canvas boundary. Testing done: not done
Merge Checklist
Put an
x
in the boxes that apply. You can also fill these out after creating the PR. If you're unsure about any of them, don't hesitate to ask. We're here to help! This is simply a reminder of what we are going to look for before merging your pull request.General
Tests
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