structure_post_extraction_processor.CrystalParams
- class structure_post_extraction_processor.CrystalParams(cell_lengths, cell_angles)[source]
Container for basic crystal parameters.
- cell_lengths
Unit-cell lengths [a, b, c] for each structure in the batch.
- Type:
torch.Tensor, shape (B, 3)
- cell_angles
Unit-cell angles [α, β, γ] in degrees for each structure in the batch.
- Type:
torch.Tensor, shape (B, 3)
- __init__()
Methods
__init__()count(value, /)Return number of occurrences of value.
index(value[, start, stop])Return first index of value.
Attributes
Alias for field number 1
Alias for field number 0
- cell_lengths: torch.Tensor
Alias for field number 0
- cell_angles: torch.Tensor
Alias for field number 1
- count(value, /)
Return number of occurrences of value.
- index(value, start=0, stop=9223372036854775807, /)
Return first index of value.
Raises ValueError if the value is not present.