Source code for deerlab.utils

from copy import Error
import warnings
import numpy as np
import scipy as scp
import scipy.optimize as opt
from types import FunctionType
from functools import wraps
import pickle

def parse_multidatasets(y_, A, weights, noiselvl, precondition=False, masks=None, subsets=None):
#===============================================================================
    """
    Parse one or multiple dataset(s) for local/global least-squares inference

    This function takes an arbitrary number of datasets, along with the model matrices and noise
    level for each dataset, and parses them into a common format for use in a global fit. It also
    performs some preprocessing steps such as scaling the signals and estimating the noise level
    if it is not provided.

    Parameters
    ----------
    y_ : array_like or list of array_like
        The input dataset(s). Must be a numpy array or a list of numpy arrays.
    
    A : array_like, list of array_like, or callable
        The model matrix(ces) for the dataset(s). Must be a numpy array or a list of numpy arrays, or a callable that returns such an object.
    
    weights : array_like or None, optional
        The weights for the global fit. If not provided, default weights will be used based on the noise level of each dataset.
    
    noiselvl : float or array_like, optional
        The noise level(s) of the dataset(s). If not provided, the noise level will be estimated using the `der_snr` function.
    
    precondition : bool, optional
        Whether to scale the signals to have maximum value of 1. Default is False.
    
    masks : array_like or list of array_like, optional
        Masks to be applied to the dataset(s). If not provided, all data will be used.
    
    subsets : list of array_like, optional
        The indices of the datasets in the concatenated global dataset. If not provided, the indices will be automatically determined.

    Returns
    -------
    y : array_like
        The concatenated dataset(s), with each dataset preprocessed as specified.
    
    Kmulti : array_like or callable
        The concatenated model matrix(ces), or a callable that returns the concatenated model matrix(ces) when given a set of parameters.
    
    subset : list of array_like
        The indices of the datasets in the concatenated global dataset.
    
    mask : array_like
        The concatenated mask(s), applied to the dataset(s).
    
    sigmas : array_like
        The noise level(s) of the dataset(s).
    
    weights : array_like
        The weights for the global fit.
    """
    # Make copies to avoid modifying the originals
    y = y_.copy()

    ylist = []
    # If multiple datasets are specified as a list...
    if type(y) is list and all([type(ys) is np.ndarray for ys in y]):
        nDatasets = len(y)

    elif type(y) is np.ndarray:
        nDatasets = 1
        y = [y]
    else:
        raise TypeError('The input dataset(s) must be numpy array or a list of numpy arrays.')
    
    # Pre-scale the signals, important when using global fits with arbitrary scales
    prescales = np.ones(nDatasets)
    for i in range(nDatasets):
        if precondition:
            prescales[i] = max(y[i])
            ylist.append(y[i]/prescales[i])
        else:
            ylist.append(y[i])

    # Get the indices to extract the subsets again
    Ns = [len(y) for y in ylist]
    if subsets is None:
        subset = [None]*nDatasets
        for i in  range(len(ylist)):
            if i==0:
                prev = 0
            else:
                prev = subset[i-1][-1]+1
            subset[i] = np.arange(prev,prev+Ns[i])
    else: 
        subset = subsets.copy()        

    # Parse the masks
    if masks is None: 
        masks = [np.full_like(y,True).astype(bool) for y in ylist]
    elif not isinstance(masks,list):
        masks = [masks]
    if len(masks)!= len(ylist): 
        raise SyntaxError('The number of masks does not match the number of signals.')
    mask = np.concatenate(masks, axis=0) 

    # Noise level estimation/parsing
    sigmas = np.zeros(len(subset))
    if noiselvl is None:
        for i in range(len(subset)):
            sigmas[i] = der_snr(ylist[i][masks[i]])
    else: 
        noiselvl = np.atleast_1d(noiselvl)
        sigmas = noiselvl.copy()


    # Concatenate the datasets along the list axis
    y = np.concatenate(ylist, axis=0)

    # -----------------------------------------------------------------
    def prepare_model_matrix(A,nDatasets):
        """
        Prepare model matrix for global fit

        This function takes an arbitrary number of model matrices, and parses
        them into a common format for use in a global fit. It concatenates 
        them along the list axis if they are specified as a list.

        Parameters
        ----------
        A : array_like, list of array_like, or callable
            The input model matrix(ces). Must be a numpy array or a list of numpy arrays, or a callable that returns such an object.
        nDatasets : int
            The number of datasets in the global fit.

        Returns
        -------
        A : array_like or callable
            The concatenated model matrix(ces), or a callable that returns the concatenated model matrix(ces) when given a set of parameters.
        """
        # If multiple kernels are specified as a list...
        if type(A) is tuple:
            A = [As for As in A]
        if type(A) is list and all([type(As) is np.ndarray for As in A]):
            nKernels = len(A)
            A = np.concatenate(A, axis=0) # ...concatenate them along the list 
        elif type(A) is np.ndarray:
            nKernels = 1
        else:
            raise TypeError('The input model matrix must be numpy array or a list of numpy arrays.')
        # Check that the same number of signals and kernel have been passed
        if nDatasets!=nKernels:
            raise KeyError('The same number of model matrices and datasets must be specified as lists.')
        return A
    # -----------------------------------------------------------------
    if type(A) is FunctionType:
        Kmulti = lambda p: prepare_model_matrix(A(p),nDatasets)
    elif A is None: 
        Kmulti = None
    else:
        Kmulti = prepare_model_matrix(A,nDatasets)

    # If global weights are not specified, set default based on noise levels
    if weights is None:
        if len(subset)==1:
            weights=1
        else:
            weights = np.zeros(len(subset))
            for i in range(len(subset)):
                weights[i] = 1/sigmas[i]
    
    # If multiple weights are specified as a list...
    if type(weights) is list or type(weights) is np.ndarray or not hasattr(weights, "__len__"):
        weights = np.atleast_1d(weights)
        if len(weights)==1:
                weights = np.repeat(weights,len(subset))
        if len(weights)!=len(ylist) and len(weights)!=np.sum([len(y) for y in ylist]):
            raise KeyError('If multiple signals are passed, the same number of weights are required.')
        if len(weights)!=np.sum([len(y) for y in ylist]):
            weights_ = []
            for i in range(len(weights)):
                weights_ = np.concatenate((weights_,weights[i]*np.ones(len(ylist[i]))))
            weights = weights_
    else:
        raise TypeError('The input weights(s) must be numpy array or a list of numpy arrays.')

    if precondition:
        return y, Kmulti, weights, mask, subset, sigmas, prescales
    else:
        return y, Kmulti, weights, mask, subset, sigmas
#===============================================================================


#===============================================================================
[docs] def formatted_table(table,align=None): """ Generate formatted table in string form This function takes a table as a list of rows, and returns a string representation of the table with automatic formatting. The table is formatted using a row-separator line, a header row, and the data rows. Parameters ---------- table : list of list of objects The input table, as a list of rows, where each row is a list of objects representing the columns. align : list of str, optional The alignment of the columns in the table. Must be a list of strings, where each string is either '<' for left alignment, '>' for right alignment, or '^' for center alignment. If not provided, all columns will be left-aligned. Returns ------- table2print : str The formatted table, as a string. """ from pyparsing import Literal,Combine,Suppress,Optional,delimitedList,Word,nums,alphas,oneOf ESC = Literal('\x1b') escapeSeq = Combine(ESC + '[' + Optional(delimitedList(Word(nums),';')) + oneOf(list(alphas))) rm_ansi = lambda s : Suppress(escapeSeq).transformString(s) # Determine the maximal number of characters in each column N = [] for column in range(len(table[0])): row_lengths = [len(rm_ansi(str(row[column]))) for row in table] N.append(max(row_lengths)) # If not specified, use left-alignment if align is None: align = ['<']*len(N) # Construct string for row-separator table_lines = '' for n,a in zip(N,align): table_lines += "="*(n+2) table_lines += ' ' # Construct row formatter string formatter = '' for n,a in zip(N,align): formatter = formatter + ' {:' + f'{a}' + f'{n}' + '} ' # Construct the table table2print = '' table2print += table_lines + '\n' # Add a line table2print += formatter.format(*table.pop(0)) + '\n' # Add a header table2print += table_lines + '\n' # Add a line for row in table: table2print += formatter.format(*row) + '\n' # Add data rows table2print += table_lines # Add a line return table2print
#=============================================================================== #===============================================================================
[docs] def goodness_of_fit(x,xfit,Ndof,noiselvl): """ Goodness of Fit statistics Computes multiple statistical indicators of goodness of fit. Parameters ---------- x : array_like Original data. xfit : array_like Fit. Ndof : int Number of degrees of freedom. noiselvl : float Standard deviation of the noise in x. Returns ------- stats : dict Statistical indicators: stats['chi2red'] - Reduced chi-squared stats['rmsd'] - Root mean-squared deviation stats['R2'] - R-squared test stats['aic'] - Akaike information criterion stats['aicc'] - Corrected Akaike information criterion stats['bic'] - Bayesian information criterion """ sigma = noiselvl Ndof = np.maximum(Ndof,1) residuals = x - xfit # Special case: no noise, and perfect fit if np.isclose(np.sum(residuals),0): return {'chi2red':1,'R2':1,'rmsd':0,'aic':-np.inf,'aicc':-np.inf,'bic':-np.inf,'autocorr':0} # Get number of xariables N = len(x) # Extrapolate number of parameters Q = Ndof - N # Reduced Chi-squared test chi2red = 1/Ndof*np.linalg.norm(residuals)**2/sigma**2 # Autocorrelation based on Durbin–Watson statistic autocorr_DW = abs( 2 - np.sum((residuals[1:-1] - residuals[0:-2])**2)/np.sum(residuals**2) ) # R-squared test R2 = 1 - np.sum((residuals)**2)/np.sum((xfit-np.mean(xfit))**2) # Root-mean square dexiation rmsd = np.sqrt(np.sum((residuals)**2)/N) # Log-likelihood loglike = N*np.log(np.sum((residuals)**2)) # Akaike information criterion aic = loglike + 2*Q # Corrected Akaike information criterion aicc = loglike + 2*Q + 2*Q*(Q+1)/(N-Q-1) # Bayesian information criterion bic = loglike + Q*np.log(N) return {'chi2red':chi2red,'R2':R2,'rmsd':rmsd,'aic':aic,'aicc':aicc,'bic':bic,'autocorr':autocorr_DW}
#=============================================================================== #===============================================================================
[docs] def der_snr(y): """ DER-SNR noise estimation Estimate the noise level using the DER_SNR method [1]. Parameters ---------- y : array_like Noisy dataset. Returns ------- sigma : float scalar Noise standard deviation. References ---------- .. [1] F. Stoehr, R. White, M. Smith, I. Kamp, R. Thompson, D. Durand, W. Freudling, D. Fraquelli, J. Haase, R. Hook, T. Kimball, M. Kummel, K. Levay, M. Lombardi, A. Micol, T. Rogers DERSNR: A Simple & General Spectroscopic Signal-to-Noise Measurement Algorithm Astronomical Data Analysis Software and Systems XVII, ASP Conference Series, Vol. 30, 2008, p5.4 """ n = len(y) sigma = 1.482602/np.sqrt(6)*np.median(abs(2.0*y[2:n-2] - y[0:n-4] - y[4:n])) return sigma
#=============================================================================== #===============================================================================
[docs] def hccm(J,residual,mode='HC1'): """ Heteroscedasticity Consistent Covariance Matrix (HCCM) Computes the heteroscedasticity consistent covariance matrix (HCCM) of a given LSQ problem given by the Jacobian matrix and the residual vector of a least-squares problem. The HCCM are valid for both heteroscedasticit and homoscedasticit residual vectors. Parameters ---------- J : NxM-element ndarray Jacobian matrix of the residual vector residual : N-element ndarray Vector of residuals mode : string, optional HCCM estimation method: * ``'HC0'`` - White, 1980 [1]_ * ``'HC1'`` - MacKinnon and White, 1985 [2]_ * ``'HC2'`` - MacKinnon and White, 1985 [2]_ * ``'HC3'`` - Davidson and MacKinnon, 1993 [3]_ * ``'HC4'`` - Cribari-Neto, 2004 [4]_ * ``'HC5'`` - Cribari-Neto, 2007 [5]_ If not specified, it defaults to ``'HC1'`` Returns ------- C : MxM-element ndarray Heteroscedasticity consistent covariance matrix References ---------- .. [1] White, H. (1980). A heteroskedasticity-consistent covariance matrix estimator and a direct test for heteroskedasticity. Econometrica, 48(4), 817-838 DOI: 10.2307/1912934 .. [2] MacKinnon and White, (1985). Some heteroskedasticity-consistent covariance matrix estimators with improved finite sample properties. Journal of Econometrics, 29 (1985), pp. 305-325. DOI: 10.1016/0304-4076(85)90158-7 .. [3] Davidson and MacKinnon, (1993). Estimation and Inference in Econometrics Oxford University Press, New York. .. [4] Cribari-Neto, F. (2004). Asymptotic inference under heteroskedasticity of unknown form. Computational Statistics & Data Analysis, 45(1), 215-233 DOI: 10.1016/s0167-9473(02)00366-3 .. [5] Cribari-Neto, F., Souza, T. C., & Vasconcellos, K. L. P. (2007). Inference under heteroskedasticity and leveraged data. Communications in Statistics – Theory and Methods, 36(10), 1877-1888. DOI: 10.1080/03610920601126589 """ # Hat matrix H = J@np.linalg.pinv(J.T@J)@J.T # Get leverage h = np.diag(H) # Number of parameters (k) & Number of variables (n) n,k = np.shape(J) # IF the number of parameters and variables are equal default to the HC0 mode to avoid zero-division if n==k: mode='HC0' # Select estimation method using established nomenclature if mode.upper() == 'HC0': # White,(1980),[1] # Estimate the data covariance matrix V = np.diag(residual**2) elif mode.upper() == 'HC1': # MacKinnon and White,(1985),[2] # Estimate the data covariance matrix V = n/(n-k)*np.diag(residual**2) elif mode.upper() == 'HC2': # MacKinnon and White,(1985),[2] # Estimate the data covariance matrix V = np.diag(residual**2/(1-h)) elif mode.upper() == 'HC3': # Davidson and MacKinnon,(1993),[3] # Estimate the data covariance matrix V = np.diag(residual/(1-h))**2 elif mode.upper() == 'HC4': # Cribari-Neto,(2004),[4] # Compute discount factor delta = np.minimum(4,n*h/k) # Estimate the data covariance matrix V = np.diag(residual**2./((1 - h)**delta)) elif mode.upper() == 'HC5': # Cribari-Neto,(2007),[5] # Compute inflation factor k = 0.7 alpha = np.minimum(np.maximum(4,k*max(h)/np.mean(h)),h/np.mean(h)) # Estimate the data covariance matrix V = np.diag(residual**2./(np.sqrt((1 - h)**alpha))) else: raise KeyError('HCCM estimation mode not found.') # Heteroscedasticity Consistent Covariance Matrix (HCCM) estimator C = np.linalg.pinv(J.T@J)@J.T@V@J@np.linalg.pinv(J.T@J) # Ensure that the covariance matrix is positive semi-definite C = nearest_psd(C) return C
#=============================================================================== #===============================================================================
[docs] def Jacobian(fcn, x0, lb, ub): """ Finite difference Jacobian estimation Estimates the Jacobian matrix of a vector-valued function `f(x)` at the point `x_0` taking into consideration box-constraints of the vector-valued variable ``x`` defined by its lower and upper bounds. Parameters ---------- fcn : callable Function `f(x)` to be differentiated. x0 : ndarray Point `x_0` at which to differentiate. lb : ndarray Lower bounds of `x`. ub : ndarray Upper bounds of `x`. Notes ----- This is a wrapper around the ``scipy.optimize._numdiff.approx_derivative`` function of the Scipy package. """ J = opt._numdiff.approx_derivative(fcn,x0,method='2-point',bounds=(lb,ub)) J = np.atleast_2d(J) return J
#=============================================================================== #===============================================================================
[docs] def movmean(x, N): """ Moving mean filter Returns an array of local `N`-point mean values, where each mean is calculated over a sliding window of length `k` across neighboring elements of `x`. Parameters ---------- x : ndarray Array to be filtered N : integer scalar Window size Returns ------- xfilt : ndarray Filtered array """ xfilt = np.convolve(x, np.ones(N)/N, mode='same') return xfilt
#=============================================================================== #===============================================================================
[docs] def ovl(A,B): """ Overlap index Returns the overlap index between two vectors A and B with respect to zero. Parameters ---------- A : N-element ndarray First vector B : N-element ndarray Second vector Returns ------- metric : array Overlap metric """ A /= np.sum(A) B /= np.sum(B) metric = np.sum(np.minimum(A,B)) return metric
#=============================================================================== #===============================================================================
[docs] def nearest_psd(A): """ Find the nearest positive semi-definite matrix This function takes a square matrix `A` and returns the nearest positive semi-definite matrix. Parameters ---------- A : ndarray The input matrix. Returns ------- Cpsd : ndarray The nearest positive semi-definite matrix. Notes ----- Modified from the algorithm in [1]. References ---------- [1] tjiagoM (2020, July 28th), How can I calculate the nearest positive semi-definite matrix? StackOverflow, https://stackoverflow.com/a/63131250/16396391 """ # If matrix is empty, return it empty (scipy.linalg.eigh cannot deal with empty matrix) if A.size==0: return A # Symmetrize the matrix Asym = (A + A.T)/2 # Construct positive semi-definite matrix via eigenvalue decomposition eigval, eigvec = scp.linalg.eigh(Asym) eigval[eigval < 0] = 0 Cpsd = np.real(eigvec.dot(np.diag(eigval)).dot(eigvec.T)) # Avoid round-off errors Cpsd[abs(Cpsd)<=np.finfo(float).eps] = 0 return Cpsd
#=============================================================================== #=============================================================================== def isnumeric(obj): """ Check whether an object is numeric This function checks whether an object supports the basic operations of a numeric type, such as addition, subtraction, multiplication, and division. Parameters ---------- obj : object The object to be checked. Returns ------- result : bool `True` if `obj` is numeric, `False` otherwise. """ attrs = ['__add__', '__sub__', '__mul__', '__truediv__', '__pow__'] return all(hasattr(obj, attr) for attr in attrs) #=============================================================================== #=============================================================================== def multistarts(n,x0,lb,ub): """ Generate multiple starting points This function generates multiple starting points for optimization, based on a given initial point, lower bounds, and upper bounds. If `n` is positive, `n-1` new points are generated within the bounds, excluding the bounds themselves. Parameters ---------- n : int The number of starting points to generate. x0 : array_like The initial point. lb : array_like The lower bounds for the starting points. ub : array_like The upper bounds for the starting points. Returns ------- x0 : ndarray The starting points. """ # Ensure a 1D-vector x0 = np.atleast_1d(np.squeeze(x0)).astype(float) lb = np.atleast_1d(np.squeeze(lb)).astype(float) ub = np.atleast_1d(np.squeeze(ub)).astype(float) if n<0: raise ValueError('The number of requested starting points must be n>0.') if len(x0) != len(lb) or len(x0) != len(ub): raise ValueError('The lower/upper bound size(s) are not compatible with the initial guess vector x0.') _x0 = x0.copy() # Generate n-1 new starting points within the bounds (excluding the bounds) if n>1: x0 = np.linspace(lb,ub,n+2)[1:-1,:] else: x0 = [x0] # If there is some NaN or inf value (just put the original start value) for x, in zip(x0): x[np.isnan(x)] = _x0[np.isnan(x)] x[np.isinf(x)] = _x0[np.isinf(x)] return x0 #=============================================================================== # This is only required for the developers version which installs pytest automatically try: import pytest #=============================================================================== def skip_on(errclass, reason="Default reason"): """ Decorator for skipping failed tests during pytest's execution Skip a unit test in Pytest if a particular exception occurs during the execution of the test. When an error of the type `errclass` occurs, the test will be skipped and the given `reason` will be reported. Examples -------- @skip_on(TypeError, reason="Data is not a string") def test_parse_string(): assert parse_string(1234) == "1234" Source: modified from https://stackoverflow.com/a/63522579/16396391 """ # Func below is the real decorator and will receive the test function as param def decorator_func(f): @wraps(f) def wrapper(*args, **kwargs): try: # Try to run the test return f(*args, **kwargs) except BaseException as error: if errclass in str(type(error)): # If exception of given type happens # just swallow it and raise pytest.Skip with given reason pytest.skip(reason) else: raise Error(error) return wrapper return decorator_func #=============================================================================== import inspect #=============================================================================== def assert_docstring(function): """ Check if the docstring of a given function contains documentation for all of its input arguments. Parameters ---------- function : callable The function to check. Raises ------ AssertionError If the docstring does not contain documentation for all of the function's input arguments. """ input_args = inspect.getfullargspec(function).args + inspect.getfullargspec(function).kwonlyargs docstring = function.__doc__ for arg in input_args: try: assert arg in docstring except: raise AssertionError(f'The argument "{arg}" is not documented.') #=============================================================================== except: pass import dill as pickle # --------------------------------------------------------------------------------------
[docs] def store_pickle(obj, filename): """ Save/export an object to a ``.pkl`` file serialized as bytes. Parameters ---------- obj : object Python object to be saved/exported. filename : string Name (and path) of the file to save the pickled object to. The object is saved as a ``.pkl`` file. If `filename` does not end in ".pkl", the extension is added automatically. Examples -------- store_pickle(my_object, 'my_file.pkl') store_pickle(my_object, './data/my_file') # equivalent to './data/my_file.pkl' """ if '.pkl' not in filename: filename = filename + '.pkl' with open(filename, 'wb') as outp: # Overwrites any existing file. pickle.dump(obj, outp, pickle.HIGHEST_PROTOCOL)
# -------------------------------------------------------------------------------------- # --------------------------------------------------------------------------------------
[docs] def read_pickle(filename): """ Load a pickled object file ``.pkl`` and deserialize the bytes into a Python object. Parameters ---------- filename : string Path to the ``.pkl`` file to load. Returns ------- object The deserialized Python object. .. warning:: It is possible to construct malicious pickle data which will execute arbitrary code during unpickling. Never unpickle data that could have come from an untrusted source, or that could have been tampered with. See `here <https://docs.python.org/3/library/pickle.html>`_ for more information. """ if '.pkl' not in filename: filename = filename + '.pkl' with open(filename, "rb") as f: while True: try: return pickle.load(f) except EOFError: break
# -------------------------------------------------------------------------------------- # --------------------------------------------------------------------------------------
[docs] def sophegrid(octants,maxphi,size): """ Construct spherical grid over spherical angles based on input parameters. The grid implemented in this function is often called the SOPHE grid [1]_. Adapted from Easyspin [2]_ ``sphgrid_`` source code. Parameters ---------- octants : integer Number of "octants" of the sphere; for each increment in theta, octants additional points are added along phi; special cases: octants=0 and octants=-1. maxphi : float Largest value of angle phi (radians). size : integer Number of orientations between theta=0 and theta=pi/2. Returns ------- phi : ndarray Array of the phi angles of the grid points in radians. theta : ndarray Array of the theta angles of the grid points in radians. weights : ndarray Array of the weights corresponding to each grid point. References ---------- .. [1] D. Wang, G. R. Hanson J.Magn.Reson. A, 117, 1-8 (1995) https://doi.org/10.1006/jmra.1995.9978 .. [2] Stefan Stoll, Arthur Schweiger J. Magn. Reson. 178(1), 42-55 (2006) https://doi.org/10.1016/j.jmr.2005.08.013 """ dtheta = (np.pi/2)/(size-1); # angular increment along theta if octants > 0: # if not Dinfh or O3 symmetry # Initializations if octants==8: nOct = 4 else: nOct = octants nOrientations = int(size + nOct*size*(size-1)/2) phi = np.zeros(nOrientations) theta = np.zeros(nOrientations) weights = np.zeros(nOrientations) sindth2 = np.sin(dtheta/2) w1 = 1.0 # North pole (z orientation) phi[0] = 0 theta[0] = 0 weights[0] = maxphi*(1 - np.cos(dtheta/2)) # All but equatorial slice Start = 1 for iSlice in np.arange(2,size): nPhi = nOct*(iSlice-1) + 1 dPhi = maxphi/(nPhi - 1) idx = Start + np.arange(0,nPhi) weights[idx] = 2*np.sin((iSlice - 1)*dtheta)*sindth2*dPhi*np.concatenate([[w1], np.ones(nPhi-2), [0.5]]) phi[idx] = np.linspace(0,maxphi,nPhi) theta[idx] = (iSlice - 1)*dtheta Start = Start + nPhi # Equatorial slice nPhi = nOct*(size - 1) + 1 dPhi = maxphi/(nPhi - 1) idx = Start + np.arange(0,nPhi) phi[idx] = np.linspace(0,maxphi,nPhi) theta[idx] = np.pi/2 weights[idx] = sindth2*dPhi*np.concatenate([[w1], np.ones(nPhi-2), [0.5]]) # Border removal rmv = np.cumsum(nOct*np.arange(1,size)+1) phi = np.delete(phi,rmv) theta = np.delete(theta,rmv) weights = np.delete(weights,rmv) # For C1, add lower hemisphere if octants==8: idx = len(theta)-nPhi + np.arange(1,1,-1) -1 phi = np.concatenate([phi, phi[idx]]) theta = np.concatenate([theta, np.pi-theta[idx]]) weights[idx] = weights[idx]/2; # half of real value weights = np.concatenate([weights, weights[idx]]) weights = 2*(2*np.pi/maxphi)*weights; # sum = 4*pi elif octants==0: # Dinfh symmetry (quarter of meridian in xz plane) phi = np.zeros(1,size) theta = np.linspace(0,np.pi/2,size) weights = -2*(2*np.pi)*np.diff(np.cos(np.concatenate([[0], np.arange(dtheta/2,np.pi/2,dtheta), [np.pi/2]]))); # sum = 4*pi elif octants==-1: # O3 symmetry (z orientation only) phi = 0 theta = 0 weights = 4*np.pi else: raise ValueError('Unsupported value #d for octants.',octants) # Remove orientations with zero weight phi = phi[weights!=0] theta = theta[weights!=0] weights = weights[weights!=0] # Normalize to unity weights = weights/np.sum(weights) return phi,theta,weights
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[docs] def choleskycovmat(Q,cholfactors): """ Compute the covariance matrix using Cholesky decomposition. Parameters ---------- Q : int Dimension of the covariance matrix. cholfactors : array_like List of Cholesky decomposition factors. The first `Q` values correspond to the diagonal values of the Cholesky decomposition matrix. The remaining values are used to fill the lower triangular matrix row by row. Returns ------- Σ : ndarray Covariance matrix. Examples -------- >>> choleskycovmat(3, [3.0, 2.0, 1.0, 0.5, 0.5, 0.5]) array([[3. , 1.5 , 0.75], [1.5 , 2.25, 1.25], [0.75, 1.25, 1.5 ]]) """ #Check that the correct number of Cholesky factors has been specified N = Q*(Q+1)/2 if len(cholfactors)!=N: raise ValueError(f'The Cholesky decomposition factors vector must have {N} elements') # Initialize Cholesky decomposition matrix L = np.zeros((Q,Q)) # Fill the Cholesky factors as a lower triangular matrix for q in range(Q): tril_idx = np.where(np.eye(Q,k=q) == 1) L[tril_idx] = cholfactors[:(Q-q)] cholfactors = cholfactors[(Q-q):] # Cholesky decomposition of the covariance matrix Σ = L@L.T return Σ
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