drop_blocks

metatensor.drop_blocks(tensor: TensorMap, keys: Labels, copy: bool = False) → TensorMap[source]

Drop specified key/block pairs from a TensorMap.

Parameters:

  • tensor (TensorMap) – the TensorMap to drop the key-block pair from.

  • keys (Labels) – selection of keys to remove from the input tensor. This can contain any subset of the names of the tensor’s keys.

  • copy (bool) – if True, the returned TensorMap is constructed by copying the blocks from the input tensor. If False (default), the values of the blocks in the output TensorMap reference the same data as the input tensor. The latter can be useful for limiting memory usage, but should be used with caution when manipulating the underlying data.

Return type:

TensorMap

metatensor.drop_empty_blocks(tensor: TensorMap, copy: bool = False) → TensorMap[source]

Drop any block in a TensorMap with an empty set of samples, components or properties.

Parameters:

  • tensor (TensorMap) – the TensorMap to drop empty blocks from.

  • copy (bool) – if True, the returned TensorMap is constructed by copying the blocks from the input tensor. If False (default), the values of the blocks in the output TensorMap reference the same data as the input tensor. The latter can be useful for limiting memory usage, but should be used with caution when manipulating the underlying data.

Return type:

TensorMap