def from_dict(cls: S2D, d: Dict[str, Any]) -> S2D:
"""
Convert a dictionary to a Spectrum2D object
Parameters
----------
d : dict
A dictionary with the following keys/values:
- 'x_data': (n_x_data,) or (n_x_data + 1,) float ndarray
- 'x_data_unit': str
- 'y_data': (n_y_data,) or (n_y_data + 1,) float ndarray
- 'y_data_unit': str
- 'z_data': (n_x_data, n_y_data) float Quantity
- 'z_data_unit': str
There are also the following optional keys:
- 'x_tick_labels': list of (int, string) tuples
- 'metadata': dict
Returns
-------
spectrum
"""
d = _process_dict(d,
quantities=['x_data', 'y_data', 'z_data'],
optional=['x_tick_labels', 'metadata'])
return cls(d['x_data'],
d['y_data'],
d['z_data'],
x_tick_labels=d['x_tick_labels'],
metadata=d['metadata'])
def from_dict(cls: T, d: Dict[str, Any]) -> T:
"""
Convert a dictionary to a StructureFactor object
Parameters
----------
d : dict
A dictionary with the following keys/values:
- 'crystal': dict, see Crystal.from_dict
- 'qpts': (n_qpts, 3) float ndarray
- 'frequencies': (n_qpts, 3*crystal.n_atoms) float ndarray
- 'frequencies_unit': str
- 'structure_factors': (n_qpts, 3*crystal.n_atoms) float ndarray
- 'structure_factors_unit': str
There are also the following optional keys:
- 'weights': (n_qpts,) float ndarray
- 'temperature': float
- 'temperature_unit': str
"""
crystal = Crystal.from_dict(d['crystal'])
d = _process_dict(
d,
quantities=['frequencies', 'structure_factors', 'temperature'],
optional=['weights', 'temperature'])
return cls(crystal, d['qpts'], d['frequencies'],
d['structure_factors'], d['weights'], d['temperature'])
def from_dict(cls: T, d: Dict[str, Any]) -> T:
"""
Convert a dictionary to a QpointFrequencies object
Parameters
----------
d
A dictionary with the following keys/values:
- 'crystal': dict, see Crystal.from_dict
- 'qpts': (n_qpts, 3) float ndarray
- 'frequencies': (n_qpts, n_branches) float ndarray
- 'frequencies_unit': str
There are also the following optional keys:
- 'weights': (n_qpts,) float ndarray
"""
crystal = Crystal.from_dict(d['crystal'])
d = _process_dict(d, quantities=['frequencies'], optional=['weights'])
return cls(crystal, d['qpts'], d['frequencies'],
d['weights'])
def from_dict(cls: T, d: Dict[str, Any]) -> T:
"""
Convert a dictionary to a QpointPhononModes object
Parameters
----------
d : dict
A dictionary with the following keys/values:
- 'crystal': dict, see Crystal.from_dict
- 'qpts': (n_qpts, 3) float ndarray
- 'frequencies': (n_qpts, 3*crystal.n_atoms) float ndarray
- 'frequencies_unit': str
- 'eigenvectors': (n_qpts, 3*crystal.n_atoms, crystal.n_atoms, 3) complex ndarray
There are also the following optional keys:
- 'weights': (n_qpts,) float ndarray
"""
crystal = Crystal.from_dict(d['crystal'])
d = _process_dict(d, quantities=['frequencies'], optional=['weights'])
return cls(crystal, d['qpts'], d['frequencies'], d['eigenvectors'],
d['weights'])
def from_dict(cls: CR, d: Dict[str, Any]) -> CR:
"""
Convert a dictionary to a Crystal object
Parameters
----------
d
A dictionary with the following keys/values:
- 'cell_vectors': (3, 3) float ndarray
- 'cell_vectors_unit': str
- 'atom_r': (n_atoms, 3) float ndarray
- 'atom_type': (n_atoms,) str ndarray
- 'atom_mass': (n_atoms,) float np.ndaaray
- 'atom_mass_unit': str
Returns
-------
crystal
"""
d = _process_dict(d, quantities=['cell_vectors', 'atom_mass'])
return cls(d['cell_vectors'], d['atom_r'], d['atom_type'],
d['atom_mass'])
def from_dict(cls, d):
"""
Convert a dictionary to a DebyeWaller object
Parameters
----------
d : dict
A dictionary with the following keys/values:
- 'crystal': dict, see Crystal.from_dict
- 'debye_waller': (n_atoms, 3, 3) float ndarray
- 'debye_waller_unit': str
- 'temperature': float
- 'temperature_unit': str
Returns
-------
DebyeWaller
"""
crystal = Crystal.from_dict(d['crystal'])
d = _process_dict(d,
quantities=['debye_waller', 'temperature'],
optional=['temperature'])
return cls(crystal, d['debye_waller'], d['temperature'])