graph2mat.Formats

class graph2mat.Formats

Bases: object

Class holding all known formats.

These are referenced by the conversion manager to understand what a function converts from and to.

Methods

add_alias(fmt, *aliases)	Add an alias for a format.
string_to_attr_name(format_string)	Get the attribute name that corresponds to a given format string.

Attributes

BASISCONFIGURATION	The format for graph2mat's BasisConfiguration class.
BASISMATRIX	The format for graph2mat's BasisMatrix.
BASISMATRIXDATA	The format for graph2mat's BasisMatrixData class
BLOCK_DICT	The format for a row block dictionary.
NODESEDGES	Pseudoformat, arrays for edge and node values, without a container.
NUMPY	Numpy array
ORBITALCONFIGURATION	The format for graph2mat's OrbitalConfiguration class.
SCIPY_COO	Scipy sparse COO matrix/array
SCIPY_CSR	Scipy sparse CSR matrix/array
SISL	Sisl SparseOrbital class
SISL_DM	Sisl DensityMatrix class
SISL_EDM	Sisl EnergyDensityMatrix class
SISL_GEOMETRY	Sisl Geometry class, doesn't contain matrix information.
SISL_H	Sisl Hamiltonian class
SISL_SILE	Pseudoformat, path to a file from which sisl can read a matrix's data.
TORCH	Torch tensor
TORCH_BASISMATRIXDATA	The format for graph2mat's TorchBasisMatrixData class.
TORCH_COO	Torch sparse COO tensor
TORCH_CSR	Torch sparse CSR tensor
TORCH_NODESEDGES	Pseudoformat, same as NODESEDGES but in torch tensors.

BASISCONFIGURATION = 'basisconfiguration'

The format for graph2mat’s BasisConfiguration class.

BASISMATRIX = 'basismatrix'

The format for graph2mat’s BasisMatrix.

BASISMATRIXDATA = 'basismatrixdata'

The format for graph2mat’s BasisMatrixData class

BLOCK_DICT = 'block_dict'

The format for a row block dictionary.

NODESEDGES = 'nodesedges'

Pseudoformat, arrays for edge and node values, without a container.

NUMPY = 'numpy'

Numpy array

ORBITALCONFIGURATION = 'orbitalconfiguration'

The format for graph2mat’s OrbitalConfiguration class.

SCIPY_COO = 'scipy_coo'

Scipy sparse COO matrix/array

SCIPY_CSR = 'scipy_csr'

Scipy sparse CSR matrix/array

SISL = 'sisl'

Sisl SparseOrbital class

SISL_DM = 'sisl_DM'

Sisl DensityMatrix class

SISL_EDM = 'sisl_EDM'

Sisl EnergyDensityMatrix class

SISL_GEOMETRY = 'sisl_geometry'

Sisl Geometry class, doesn’t contain matrix information.

SISL_H = 'sisl_H'

Sisl Hamiltonian class

SISL_SILE = 'sisl_sile'

Pseudoformat, path to a file from which sisl can read a matrix’s data.

TORCH = 'torch'

Torch tensor

TORCH_BASISMATRIXDATA = 'torch_basismatrixdata'

The format for graph2mat’s TorchBasisMatrixData class.

TORCH_COO = 'torch_coo'

Torch sparse COO tensor

TORCH_CSR = 'torch_csr'

Torch sparse CSR tensor

TORCH_NODESEDGES = 'torch_nodesedges'

Pseudoformat, same as NODESEDGES but in torch tensors.

classmethod add_alias(fmt: str, *aliases: Any)

Add an alias for a format.

Parameters:

• fmt – The format name.

• aliases – The aliases that will be associated with the format. They don’t need to be strings, they can be e.g. a class.

classmethod string_to_attr_name(format_string: str) → str

Get the attribute name that corresponds to a given format string.

This function is quite slow.

Parameters:

format_string – The format string.

Returns:

The attribute name.

Return type:

attr_name