pyTEMlib 0.2020.11.1__py3-none-any.whl → 0.2024.9.0__py3-none-any.whl

pyTEMlib/hdf_utils.py

@@ -1,483 +0,0 @@
-# -*- coding: utf-8 -*-
-"""
-Lower-level and simpler NSID-specific HDF5 utilities that facilitate
-higher-level data operations
-
-goes back to sidpy
-
-Created on Tue Aug  3 21:14:25 2020
-
-@author: Gerd Duscher, and Suhas Somnath
-"""
-from __future__ import division, print_function, absolute_import, unicode_literals
-import sys
-import h5py
-import numpy as np
-import dask.array as da
-
-import sys
-
-import sidpy
-from sidpy.base.num_utils import contains_integers
-from sidpy.hdf.hdf_utils import get_attr, copy_dataset
-from sidpy.hdf import hdf_utils as hut
-from sidpy import Dimension
-
-if sys.version_info.major == 3:
-    unicode = str
-
-
-def get_all_main(parent, verbose=False):
-    """
-    Simple function to recursively print the contents of an hdf5 group
-    Parameters
-    ----------
-    parent : :class:`h5py.Group`
-        HDF5 Group to search within
-    verbose : bool, optional. Default = False
-        If true, extra print statements (usually for debugging) are enabled
-    Returns
-    -------
-    main_list : list of h5py.Dataset
-        The datasets found in the file that meet the 'Main Data' criteria.
-    """
-    if not isinstance(parent, (h5py.Group, h5py.File)):
-        raise TypeError('parent should be a h5py.File or h5py.Group object')
-
-    main_list = list()
-
-    def __check(name, obj):
-        if verbose:
-            print(name, obj)
-        if isinstance(obj, h5py.Dataset):
-            if verbose:
-                print(name, 'is an HDF5 Dataset.')
-            ismain = check_if_main(obj)
-            if ismain:
-                if verbose:
-                    print(name, 'is a `Main` dataset.')
-                main_list.append(obj)
-
-    if verbose:
-        print('Checking the group {} for `Main` datasets.'.format(parent.name))
-    parent.visititems(__check)
-
-    return main_list
-
-
-def find_dataset(h5_group, dset_name):
-    """
-    Uses visit() to find all datasets with the desired name
-    Parameters
-    ----------
-    h5_group : :class:`h5py.Group`
-        Group to search within for the Dataset
-    dset_name : str
-        Name of the dataset to search for
-    Returns
-    -------
-    datasets : list
-        List of [Name, object] pairs corresponding to datasets that match `ds_name`.
-    """
-
-    # print 'Finding all instances of', ds_name
-    datasets = []
-
-    for obj in hut.find_dataset(h5_group, dset_name):
-        datasets.append(obj)
-
-    return datasets
-
-
-def validate_main_dset(h5_main, must_be_h5):
-    """
-    Checks to make sure that the provided object is a NSID main dataset
-    Errors in parameters will result in Exceptions
-    Parameters
-    ----------
-    h5_main : h5py.Dataset or numpy.ndarray or Dask.array.core.array
-        object that represents the NSID main data
-    must_be_h5 : bool
-        Set to True if the expecting an h5py.Dataset object.
-        Set to False if expecting a numpy.ndarray or Dask.array.core.array
-    Returns
-    -------
-    """
-    # Check that h5_main is a dataset
-    if must_be_h5:
-        if not isinstance(h5_main, h5py.Dataset):
-            raise TypeError('{} is not an HDF5 Dataset object.'.format(h5_main))
-    else:
-        if not isinstance(h5_main, (np.ndarray, da.core.Array)):
-            raise TypeError('raw_data should either be a np.ndarray or a '
-                            'da.core.Array')
-
-    # Check dimensionality
-    if len(h5_main.shape) != len(h5_main.dims):
-        raise ValueError('Main data does not have full set of dimensional '
-                         'scales. Provided object has shape: {} but only {} '
-                         'dimensional scales'
-                         ''.format(h5_main.shape, len(h5_main.dims)))
-
-
-def validate_anc_h5_dsets(h5_inds, h5_vals, main_shape, is_spectroscopic=True):
-    """
-    Checks ancillary HDF5 datasets against shape of a main dataset.
-    Errors in parameters will result in Exceptions
-    Parameters
-    ----------
-    h5_inds : h5py.Dataset
-        HDF5 dataset corresponding to the ancillary Indices dataset
-    h5_vals : h5py.Dataset
-        HDF5 dataset corresponding to the ancillary Values dataset
-    main_shape : array-like
-        Shape of the main dataset expressed as a tuple or similar
-    is_spectroscopic : bool, Optional. Default = True
-        set to True if ``dims`` correspond to Spectroscopic Dimensions.
-        False otherwise.
-    """
-    if not isinstance(h5_inds, h5py.Dataset):
-        raise TypeError('h5_inds must be a h5py.Dataset object')
-    if not isinstance(h5_vals, h5py.Dataset):
-        raise TypeError('h5_vals must be a h5py.Dataset object')
-    if h5_inds.shape != h5_vals.shape:
-        raise ValueError('h5_inds: {} and h5_vals: {} should be of the same '
-                         'shape'.format(h5_inds.shape, h5_vals.shape))
-    if isinstance(main_shape, (list, tuple)):
-        if not contains_integers(main_shape, min_val=1) or \
-                len(main_shape) != 2:
-            raise ValueError("'main_shape' must be a valid HDF5 dataset shape")
-    else:
-        raise TypeError('main_shape should be of the following types:'
-                        'h5py.Dataset, tuple, or list. {} provided'
-                        ''.format(type(main_shape)))
-
-    if h5_inds.shape[is_spectroscopic] != main_shape[is_spectroscopic]:
-        raise ValueError('index {} in shape of h5_inds: {} and main_data: {} '
-                         'should be equal'.format(int(is_spectroscopic),
-                                                  h5_inds.shape, main_shape))
-
-
-def validate_dims_against_main(main_shape, dims, is_spectroscopic=True):
-    """
-    Checks Dimension objects against a given shape for main datasets.
-    Errors in parameters will result in Exceptions
-    Parameters
-    ----------
-    main_shape : array-like
-        Tuple or list with the shape of the main data
-    dims : iterable
-        List of Dimension objects
-    is_spectroscopic : bool, Optional. Default = True
-        set to True if ``dims`` correspond to Spectroscopic Dimensions.
-        False otherwise.
-    """
-    if not isinstance(main_shape, (list, tuple)):
-        raise TypeError('main_shape should be a list or tuple. Provided object'
-                        ' was of type: {}'.format(type(main_shape)))
-    if len(main_shape) != 2:
-        raise ValueError('"main_shape" should be of length 2')
-    contains_integers(main_shape, min_val=1)
-
-    if isinstance(dims, Dimension):
-        dims = [dims]
-    elif not isinstance(dims, (list, tuple)):
-        raise TypeError('"dims" must be a list or tuple of nsid.Dimension '
-                        'objects. Provided object was of type: {}'
-                        ''.format(type(dims)))
-    if not all([isinstance(obj, Dimension) for obj in dims]):
-        raise TypeError('One or more objects in "dims" was not nsid.Dimension')
-
-    if is_spectroscopic:
-        main_dim = 1
-        dim_category = 'Spectroscopic'
-    else:
-        main_dim = 0
-        dim_category = 'Position'
-
-    # TODO: This is where the dimension type will need to be taken into account
-    lhs = main_shape[main_dim]
-    rhs = np.product([len(x.values) for x in dims])
-    if lhs != rhs:
-        raise ValueError(dim_category +
-                         ' dimensions in main data of size: {} do not match '
-                         'with product of values in provided Dimension objects'
-                         ': {}'.format(lhs, rhs))
-
-
-def check_if_main(h5_main, verbose=False):
-    """
-    Checks the input dataset to see if it has all the necessary
-    features to be considered a Main dataset.  This means it is
-    dataset has dimensions of correct size and has the following attributes:
-    * quantity
-    * units
-    * main_data_name
-    * data_type
-    * modality
-    * source
-    In addition, the shapes of the ancillary matrices should match with that of
-    h5_main
-    Parameters
-    ----------
-    h5_main : HDF5 Dataset
-        Dataset of interest
-    verbose : Boolean (Optional. Default = False)
-        Whether or not to print statements
-    Returns
-    -------
-    success : Boolean
-        True if all tests pass
-    """
-    try:
-        validate_main_dset(h5_main, True)
-    except Exception as exep:
-        if verbose:
-            print(exep)
-        return False
-
-    # h5_name = h5_main.name.split('/')[-1]
-    h5_group = h5_main.parent
-
-    # success = True
-
-    # Check for Datasets
-
-    attrs_names = ['dimension_type', 'name', 'nsid_version', 'quantity', 'units', ]
-    attr_success = []
-    # Check for all required attributes in dataset
-    main_attrs_names = ['quantity', 'units', 'main_data_name', 'data_type', 'modality', 'source']
-    main_attr_success = np.all([att in h5_main.attrs for att in main_attrs_names])
-    if verbose:
-        print('All Attributes in dataset: ', main_attr_success)
-    if not main_attr_success:
-        if verbose:
-            print('{} does not have the mandatory attributes'.format(h5_main.name))
-        return False
-
-    for attr_name in main_attrs_names:
-        val = get_attr(h5_main, attr_name)
-        if not isinstance(val, (str, unicode)):
-            if verbose:
-                print('Attribute {} of {} found to be {}. Expected a string'.format(attr_name, h5_main.name, val))
-            return False
-
-    length_success = []
-    dset_success = []
-    # Check for Validity of Dimensional Scales
-    for i, dimension in enumerate(h5_main.dims):
-        # check for all required attributes
-        h5_dim_dset = h5_group[dimension.label]
-        attr_success.append(np.all([att in h5_dim_dset.attrs for att in attrs_names]))
-        dset_success.append(np.all([attr_success, isinstance(h5_dim_dset, h5py.Dataset)]))
-        # dimensional scale has to be 1D
-        if len(h5_dim_dset.shape) == 1:
-            # and of the same length as the shape of the dataset
-            length_success.append(h5_main.shape[i] == h5_dim_dset.shape[0])
-        else:
-            length_success.append(False)
-    # We have the list now and can get error messages according to which dataset is bad or not.
-    if np.all([np.all(attr_success), np.all(length_success), np.all(dset_success)]):
-        if verbose:
-            print('Dimensions: All Attributes: ', np.all(attr_success))
-            print('Dimensions: All Correct Length: ', np.all(length_success))
-            print('Dimensions: All h5 Datasets: ', np.all(dset_success))
-    else:
-        print('length of dimension scale {length_success.index(False)} is wrong')
-        print('attributes in dimension scale {attr_success.index(False)} are wrong')
-        print('dimension scale {dset_success.index(False)} is not a dataset')
-        return False
-
-    return main_attr_success
-
-
-def link_as_main(h5_main, dim_dict):
-    """
-    Attaches datasets as h5 Dimensional Scales to  `h5_main`
-    Parameters
-    ----------
-    h5_main : h5py.Dataset
-        N-dimensional Dataset which will have the references added as h5 Dimensional Scales
-    dim_dict: dictionary with dimensional order as key and items are datasets to be used as h5 Dimensional Scales
-
-    Returns
-    -------
-    pyNSID.NSIDataset
-        NSIDataset version of h5_main now that it is a NSID Main dataset
-    """
-    if not isinstance(h5_main, h5py.Dataset):
-        raise TypeError('h5_main should be a h5py.Dataset object')
-
-    h5_parent_group = h5_main.parent
-    main_shape = h5_main.shape
-    ######################
-    # Validate Dimensions
-    ######################
-    # An N dimensional dataset should have N items in the dimension dictionary
-    if len(dim_dict) != len(main_shape):
-        raise ValueError('Incorrect number of dimensions: {} provided to support main data, of shape: {}'
-                         .format(len(dim_dict), main_shape))
-    if set(range(len(main_shape))) != set(dim_dict.keys()):
-        raise KeyError('')
-    
-    dim_names = []
-    for index, dim_exp_size in enumerate(main_shape):
-        this_dim = dim_dict[index]
-        if isinstance(this_dim, h5py.Dataset):
-            error_message = validate_dimensions(this_dim, main_shape[index])
-            if len(error_message) > 0:
-                raise TypeError('Dimension {} has the following error_message:\n'.format(index), error_message)
-            else:
-                # if this_dim.name not in dim_names:
-                if this_dim.name not in dim_names:  # names must be unique
-                    dim_names.append(this_dim.name)
-                else:
-                    raise TypeError('All dimension names must be unique, found {} twice'.format(this_dim.name))
-                if this_dim.file != h5_parent_group.file:
-                    copy_dataset(this_dim, h5_parent_group, verbose=False)
-        else: 
-            raise TypeError('Items in dictionary must all  be h5py.Datasets !')
-
-    ################
-    # Attach Scales
-    ################
-    for i, this_dim_dset in dim_dict.items():
-        this_dim_dset.make_scale(this_dim_dset.attrs['name'])
-        h5_main.dims[int(i)].label = this_dim_dset.attrs['name']
-        h5_main.dims[int(i)].attach_scale(this_dim_dset)
-        
-    return h5_main
-
-
-def get_source_dataset(h5_group):
-    """
-    Find the name of the source dataset used to create the input `h5_group`,
-    so long as the source dataset is in the same HDF5 file
-    Parameters
-    ----------
-    h5_group : :class:`h5py.Group`
-        Child group whose source dataset will be returned
-    Returns
-    -------
-    h5_source : NSIDataset object
-        Main dataset from which this group was generated
-    """
-    if not isinstance(h5_group, h5py.Group):
-        raise TypeError('h5_group should be a h5py.Group object')
-
-    h5_parent_group = h5_group.parent
-    group_name = h5_group.name.split('/')[-1]
-    # What if the group name was not formatted according to Pycroscopy rules?
-    name_split = group_name.split('-')
-    if len(name_split) != 2:
-        raise ValueError("The provided group's name could not be split by '-' as expected in "
-                         "SourceDataset-ProcessName_000")
-    h5_source = h5_parent_group[name_split[0]]
-
-    if not isinstance(h5_source, h5py.Dataset):
-        raise ValueError('Source object was not a dataset!')
-
-    return h5_source
-
-
-def validate_dimensions(this_dim, dim_shape):
-    """
-    Checks if the provided object is an h5 dataset.
-    A valid dataset to be uses as dimension must be 1D not a compound data type but 'simple'.
-    Such a dataset must have  ancillary attributes 'name', quantity', 'units', and 'dimension_type',
-    which have to be of  types str, str, str, and bool respectively and not empty
-    If it is not valid of dataset, Exceptions are raised.
-
-    Parameters
-    ----------
-    this_dim : h5 dataset
-        with non empty attributes 'name', quantity', 'units', and 'dimension_type'
-    dim_shape : required length of dataset
-
-    Returns
-    -------
-    error_message: string, empty if ok.
-    """
-
-    if not isinstance(this_dim, h5py.Dataset):
-        error_message = 'this Dimension must be a h5 Dataset'
-        return error_message
-
-    error_message = ''
-    # Is it 1D?
-    if len(this_dim.shape) != 1:
-        error_message += ' High dimensional datasets are not allowed as dimensions;\n'
-    # Does this dataset have a "simple" dtype - no compound data type allowed!
-    # is the shape matching with the main dataset?
-    if len(this_dim) != dim_shape:
-        error_message += ' Dimension has wrong length;\n'
-    # Does it contain some ancillary attributes like 'name', quantity', 'units', and 'dimension_type'
-    necessary_attributes = ['name', 'quantity', 'units', 'dimension_type']
-    for key in necessary_attributes:
-        if key not in this_dim.attrs:
-            error_message += 'Missing {} attribute in dimension;\n '.format(key)
-        elif not isinstance(this_dim.attrs[key], str):
-            error_message += '{} attribute in dimension should be string;\n '.format(key)
-
-    return error_message
-
-
-def validate_main_dimensions(main_shape, dim_dict, h5_parent_group):
-    # Each item could either be a Dimension object or a HDF5 dataset
-    # Collect the file within which these ancillary HDF5 objects are present if they are provided
-    which_h5_file = {}
-    # Also collect the names of the dimensions. We want them to be unique
-    dim_names = []
-
-    dimensions_correct = []
-    for index, dim_exp_size in enumerate(main_shape):
-        this_dim = dim_dict[index]
-        if isinstance(this_dim, h5py.Dataset):
-            error_message = validate_dimensions(this_dim, main_shape[index])
-
-            # All these checks should live in a helper function for cleanliness
-
-            if len(error_message) > 0:
-                print('Dimension {} has the following error_message:\n'.format(index), error_message)
-
-            else:
-                if this_dim.name not in dim_names:  # names must be unique
-                    dim_names.append(this_dim.name)
-                else:
-                    raise TypeError('All dimension names must be unique, found'
-                                    ' {} twice'.format(this_dim.name))
-
-                # are all datasets in the same file?
-                if this_dim.file != h5_parent_group.file:
-                    copy_dataset(this_dim, h5_parent_group, verbose=True)
-
-        elif isinstance(this_dim, Dimension):
-            # is the shape matching with the main dataset?
-            dimensions_correct.append(len(this_dim.values) == dim_exp_size)
-            # Is there a HDF5 dataset with the same name already in the provided group
-            # where this dataset will be created?
-            if this_dim.name in h5_parent_group:
-                # check if this object with the same name is a dataset and if it satisfies the above tests
-                if isinstance(h5_parent_group[this_dim.name], h5py.Dataset):
-                    print('needs more checking')
-                    dimensions_correct[-1] = False
-                else:
-                    dimensions_correct[-1] = True
-            # Otherwise, just append the dimension name for the uniqueness test
-            elif this_dim.name not in dim_names:
-                dim_names.append(this_dim.name)
-            else:
-                dimensions_correct[-1] = False
-        else:
-            raise TypeError('Values of dim_dict should either be h5py.Dataset '
-                            'objects or Dimension. Object at index: {} was of '
-                            'type: {}'.format(index, index))
-
-        for dim in which_h5_file:
-            if which_h5_file[dim] != h5_parent_group.file.filename:
-                print('need to copy dimension', dim)
-        for i, dim_name in enumerate(dim_names[:-1]):
-            if dim_name in dim_names[i + 1:]:
-                print(dim_name, ' is not unique')
-
-    return dimensions_correct