pylbo.utilities.datfiles.file_reader

Classes

LegolasFileReader

Module Contents

class pylbo.utilities.datfiles.file_reader.LegolasFileReader(datfile: os.PathLike, byte_order: str = 'native')[source]

_byte_order[source]

datfile[source]

_read_legolas_version(istream: BinaryIO) → pylbo._version.VersionHandler[source]

get_header() → pylbo.utilities.datfiles.header.LegolasHeader[source]

read_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_gaussian_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_ef_grid(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_equilibrium_arrays(header: pylbo.utilities.datfiles.header.LegolasHeader) → dict[source]

read_eigenvalues(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_eigenvectors(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_residuals(header: pylbo.utilities.datfiles.header.LegolasHeader) → numpy.ndarray[source]

read_matrix_A(header: pylbo.utilities.datfiles.header.LegolasHeader) → tuple[numpy.ndarray, numpy.ndarray, numpy.ndarray][source]

read_matrix_B(header: pylbo.utilities.datfiles.header.LegolasHeader) → tuple[numpy.ndarray, numpy.ndarray, numpy.ndarray][source]

read_eigenfunction(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) → dict[source]

read_derived_eigenfunction(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) → dict[source]

_read_eigenfunction_like(header: pylbo.utilities.datfiles.header.LegolasHeader, offset: int, ef_index: int, state_vector: numpy.ndarray) → dict[source]

_get_ef_index(header: pylbo.utilities.datfiles.header.LegolasHeader, ev_index: int) → int[source]