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5.1.1 (2024/11/20)

  • Added a docstring to the Circuit.serialize method.
  • Fixed a bug that caused an exception to be raised when attempting to pass multiple methods and/or weights to the fit_circuit function.

5.1.0 (2024/11/02)

  • Added support for analyzing the peaks in DRT results by fitting skew normal distributions:
    • Added an analyze_peaks method to the DRTResult class.
    • Added a DRTPeaks class, which can be used to, e.g., calculate the area of a peak.
  • Added an implementation of the Loewner method for calculating the distribution of relaxation times:
    • Added a calculate_drt_lm function.
    • Added an LMResult class.
    • Added --model-order and --model-order-method CLI arguments.
    • Updated the plot.mpl.plot_gamma function to support plotting LMResult instances.
  • Added the ability to define constraints when fitting circuits:
    • Added a generate_fit_identifiers function.
    • Added a FitIdentifiers class.
  • Added support for plotting DRT results as gamma vs f.
    • Added CLI argument for plotting DRT results as gamma vs f.
  • Added an alternative form of the Gerischer element (GerischerAlternative) with the parameters R, tau, and n.
  • Added more circuits for generating mock data.
  • Added support for the modified Akima spline (makima) to the interpolation phase of Z-HIT and set it as the default.
  • Added support for specifying multiple methods and/or weights to use when calling the fit_circuit function.
  • Added a max_iter argument to the TR-NNLS method in case the default number of iterations is insufficient.
  • Updated the TR-RBF implementation to be based off of a newer version of pyDRTtools.
  • Updated plotting functions to support drawing smoother lines if the input result has a circuit property.
  • Updated an exception message to provide more information if a variable that is being fitted is out of bounds.
  • Updated documentation.
  • Updated the generate_mock_data function so that it attempts to cast arguments to the appropriate type if some other types of values (e.g., integers) are provided instead.
  • Updated the circuit.registry.register_element function to support a new private keyword argument.
    • Updated the circuit.registry.get_elements function to not include by default Element classes that were registered with private=True.
    • Updated the KramersKronigRC and KramersKronigAdmittanceRC classes to be registered with private=True.
  • Updated some plotting functions (e.g., primitives such as mpl.plot_nyquist, mpl.plot_gamma) to support None as input so that the functions can be used to set up a blank plot.
  • Updated the get_default_num_procs function to also support additional environment variables that may be supported by OpenBLAS (depends upon the settings used when OpenBLAS was compiled).
  • Updated the fit_circuit function to ignore RuntimeWarnings during fitting.
  • Updated the Warburg element class to include an n exponent (fixed at 0.5 by default).
  • Updated the plot_gamma function to include a horizontal line marking zero on the y-axis.
  • Updated the automatic adjustment of initial values of circuit parameters to be bypassed when a non-default value is detected in a Circuit that is provided to the m(RQ)-fit method without a corresponding FitResult.
  • Updated the m(RQ)-fit method to support resistive-inductive (RQ) elements. The n parameter of the ConstantPhaseElement instance would then need to be -1.0 <= n < 0.0.
  • Updated the parsing of data files to better support cases where a decimal comma is used instead of a decimal point.
  • Fixed a bug that caused methods such as DRTResult.get_peaks to miss peaks at the time constant extremes.
  • Fixed a bug that caused an element's parameters in FitResult.to_parameters_dataframe to not be in a sorted order.
  • Fixed the previously unimplemented FitResult.get_parameters method.
  • Fixed a bug that caused FitResult.to_parameters_dataframe to return negative standard errors when the fitted value was negative.
  • Fixed a bug that could cause FitResult.to_parameters_dataframe to divide by zero.
  • Fixed a bug that could cause FittedParameter.get_relative_error to divide by zero.
  • Fixed a bug where an exception would be raised when whitespace was included between keyword arguments when passing circuit identifiers or CDCs via the CLI (e.g., <R(RC):noise=5e-2, log_max_f=4> would previously raise an exception whereas <R(RC):noise=5e-2,log_max_f=4> would not).
  • Fixed a bug in the perform_exploratory_kramers_kronig_tests function that caused an exception to be raised when admittance=True or admittance=False.
  • Fixed a bug where passing a list of KramersKronigResult objects corresponding to a noise-free DataSet to the suggest_num_RC_limits function could cause an exception to be raised because the lower limit of the number of RC elements was estimated to be greater than the highest tested number of RC elements.
  • Fixed a bug where get_default_num_procs could raise an exception if an environment variable (e.g., OPENBLAS_NUM_THREADS) was assigned a non-numerical value.
  • Fixed a bug that caused the range of time constants of the m(RQ)-fit and TR-NNLS results to be incorrect although the peaks were still at the right values.
  • Refactored some of the code.

5.0.2 (2024/09/10)

  • Updated the documentation (e.g., various function and method docstrings have been updated). Notably, the functions related to handling progress updates are now included in the API documentation.

5.0.1 (2024/09/03)

  • Updated the docstring of the generate_mock_data function.
  • Updated the documentation to include the functions for generating mock data and circuits.
  • Fixed a bug in a function for interpolating frequencies.

5.0.0 (2024/08/29)

THIS UPDATE CONTAINS SEVERAL CHANGES THAT ARE NOT BACKWARDS COMPATIBLE WITH CODE WRITTEN USING VERSION 4.x! SOME OF THE ARGUMENTS IN THE COMMAND LINE INTERFACE HAVE ALSO CHANGED OR BEEN REMOVED!

Linear Kramers-Kronig tests

  • Renamed the TestResult class to KramersKronigResult.
  • Renamed the perform_test function to perform_kramers_kronig_test.
  • Removed the perform_exploratory_tests function. The pyimpspec.analysis.kramers_kronig.evaluate_log_F_ext function should be used instead.
  • The complex, real, and imaginary tests now usenumpy.linalg.lstsq. The previous implementations based on matrix inversion are now accessible by appending -inv (e.g., complex-inv).
  • Updated the perform_test and perform_exploratory_tests function signatures (e.g., test='real', add_capacitance=True, and add_inductance=True are now the new defaults).
  • Replaced the --add-capacitance and --add-inductance CLI arguments with --no-capacitance and --no-inductance. They new arguments have the same abbreviated forms, which means that -C and -L now have the opposite effect compared to previously.
  • Added a variant of the mu-criterion algorithm that fits a logistic function to the mu-values (accessible via negative mu-criterion values).
  • Added a suggest_num_RC function for suggesting the optimum number of RC elements to use when performing linear Kramers-Kronig tests:
  • Added support for performing linear Kramers-Kronig tests on the admittance representation:
    • Added KramersKronigAdmittanceRC element to represent the series RC element used in the equivalent circuit model.
    • Added a boolean admittance attribute to the TestResult class.
    • Added get_parallel_resistance, get_parallel_capacitance, and get_parallel_inductance methods to the TestResult class.
    • Added a variant of the mu-criterion algorithm that uses capacitance values instead of resistance values when operating on the admittance representation.
  • Added suggest_representation function for suggesting either the impedance or admittance representation to use.
  • Added evaluate_time_constant_extensions function for optimizing the extension of the range of time constants.
  • Added the following arguments to the CLI:
    • --admittance and --impedance to only perform tests on the admittance and impedance representation, respectively.
    • --suggestion-methods to selecting one or more methods for suggesting the optimum number of RC elements.
    • --mean, --ranking, and --sum to specify how to combine multiple methods for suggesting the optimum number of RC elements.
    • --num-F-ext-evaluations to specify the number of evaluations to perform when optimizing the extension of the range of time constants.
    • --min-log-F-ext and --max-log-F-ext to specify the lower and upper limits for the number of decades to extend the range of time constants when --num-F-ext-evaluations is set to something else than zero.
    • --log-F-ext to specify the number of decades to extend the range of time constants when --num-F-ext-evaluations is set to zero.
    • --no-rapid-F-ext-evaluations to evaluate the full range of the number of time constants at each sampled extension of the range of time constants.
    • --lower-limit/--upper-limit to specify the lower/upper limit for the optimum number of RC elements to suggest.
    • --limit-delta as an alternative way of specifying the limits of the range of optimum number of RC elements to suggest.
    • --plot-immittance to automatically plot the corresponding immittance representation that was used when performing the linear Kramers-Kronig test.
    • --plot-pseudo-chi-squared to override the plot when a single suggestion method has been chosen.
    • --plot-moving-average-width to plot the moving averages of the residuals (the number of points must be provided).
    • --plot-estimated-noise to include the estimated standard deviation of the noise.
    • --plot-log-F-ext-3d and --plot-log-F-ext-2d to plot the pseudo chi-squared values as a function of the number of time constants and the extension of the range of time constants.
    • --plot-auto-limited-residuals to automatically adjust the limits of the y-axes when plotting the relative residuals.
  • Added utility functions for subdividing frequency ranges and for calculating the curvatures of impedance spectra.
  • Updated the perform_test function to make use of the perform_exploratory_tests, suggest_num_RC, and suggest_representation functions.
  • Refactored the perform_exploratory_tests function to only perform tests with different numbers of RC elements.
  • Removed the --automatic argument from the CLI.
  • Updated the CLI to use similar plots both for exploratory results and when manually selecting a number of RC elements.
  • Removed the mu attribute from the TestResult class.
  • Fixed a bug in calculation of mu values that caused the series resistance to be included.
  • Some functions are no longer available the top level of the package and must instead be accessed via the pyimpspec.analysis.kramers_kronig module.

Z-HIT analysis

  • Added support for performing Z-HIT analysis on admittance data.
  • Added a CLI argument for performing analyses on admittance data (--admittance or -A).
  • Added two smoothing algorithms (https://doi.org/10.1021/acsmeasuresciau.1c00054):
    • whithend: Whittaker-Henderson
    • modsinc: modified sinc kernel with linear extrapolation
  • Updated the default smoothing algorithm to be modsinc.
  • Added title to plot by default when performing analyses via the CLI.
  • Changed statsmodels from a required dependency to an optional dependency.
  • Added support for showing a plot of the residuals when using the CLI.

Fitting

  • Added an optional timeout argument to the fit_circuit function that can be used to set a time limit. This can be used to force the fitting process to timeout if it is taking a very long time to finish.
  • Added --timeout argument to the CLI.
  • Added --type argument to the CLI so that fit results can optionally be plotted as, e.g., just a Nyquist plot.

Distribution of relaxation times

  • Updated the TR-RBF implementation to be based off of a newer version of pyDRTtools:
    • lambda_value is now automatically determined using a cross-validation method unless the new cross_validation argument is an empty string (i.e., cross_validation="").
    • If one of the cross-validation methods is chosen, then lambda_value is used as the initial value.
    • The currently supported cross-validation (CV) methods are:
      • "gcv" - generalized cross-validation (GCV)
      • "mgcv" - modified GCV
      • "rgcv" - robust GCV
      • "re-im" - real-imaginary CV
      • "lc" - L-curve
    • See https://doi.org/10.1149/1945-7111/acbca4 for more information about the CV methods.
  • Removed the maximum_symmetry argument from the TR-RBF implementation.
  • Changed how timeouts and progress updates are implemented when the TR-RBF method is called with credible_intervals=True and timeout is greater than zero.
  • Some functions and classes are no longer available the top level of the package and must instead be accessed via the pyimpspec.analysis.drt module.

Plotting

  • Added support for plotting admittance data:
    • The affected plotting functions now have an optional, boolean admittance keyword argument.
  • Added a CLI argument for plotting admittance data (--plot-admittance or -pY).
  • Removed the mpl.plot_mu_xps function.
  • Added an mpl.plot_pseudo_chisqr function for plotting the pseudo chi-squared values of TestResult instances.
  • Updated the mpl.plot_residuals function to not use markers by default.
  • Fixed a bug that caused mpl.plot_residuals to have empty legend labels when no markers were used.
  • Updated how the limits are automatically determined by the mpl.plot_residuals function.
  • Updated how the ticks are determined in the y-axes of the mpl.plot_residuals function.
  • Added an mpl.plot_suggestion function that visualizes the suggested numbers of RC elements to use for linear Kramers-Kronig testing.
  • Added an mpl.plot_suggestion_method function that visualizes the data that is used to suggest the number of RC elements to use for linear Kramers-Kronig testing.
  • Removed support for colored axes from the mpl.plot_nyquist function.
  • Updated the mpl.plot_nyquist function to switch to using a marker when using line=True if all points are approximately the same.
  • Updated how the --plot-type CLI argument is handled when plotting, e.g., DRT results.
  • Added an mpl.show function that acts as a wrapper for matplotlib.pyplot.show.
  • Renamed the plot_tests function to plot_kramers_kronig_tests.
  • Renamed the plot_complex function to plot_real_imaginary.

Data parsing

  • Added support for parsing ZView/ZPlot .z files.
  • Added support for parsing PalmSens .pssession files.
  • Added support for two more variants of column headers to parsers that attempt to automatically identify columns.
  • Added support for using pathlib.Path in addition to str when passing paths to, e.g., the parse_data function.
  • Added --output-indices argument to the CLI to include zero-based indices in text output.
  • Added --exclude-indices argument to the CLI so that specific data points (e.g., outliers) can be excluded based on their zero-based indices.
  • Added --nth-data-set argument to the CLI so that one or more data sets can be chosen from a file.
  • Updated parsing of .dta files to support parsing the drift corrected impedances when it is available. The returned List[DataSet] is sorted so that the drift corrected impedance spectra have a lower index in the list than the uncorrected impedance spectra.
  • Fixed a bug that caused an exception to be raised when parsing a spreadsheet that also contained at least one empty sheet.
  • Fixed a bug that caused NumPy arrays in the dictionary returned by DataSet.to_dict to not be compatible with json.dump and json.dumps from the standard library.
  • Fixed a bug where DataSet.from_dict was unable to handle mask dictionaries where the keys were strings instead of integers.
  • Fixed a bug where the keyword arguments provided to parse_data were not being passed on to the different format parsers in a specific case.
  • Fixed a bug where detecting columns in files would fail if an otherwise valid column name started with whitespace.

Elements

  • Added the ZARC element, which is represented by Zarc in circuit description codes.
  • Added a reset_default_parameter_values function to reset the default parameter values of either all element types or specific element types.
  • Added remove_elements and reset functions to the pyimpspec.circuit.registry module that can be used to remove user-defined elements, or to remove user-defined elements and reset the default parameter values, respectively.
  • Added an optional default_only parameter to the get_elements function so that the function can return either all elements (including user-defined elements) or just the elements included in pyimpspec by default. The parameter is set to False by default, which means that all elements are returned.

Miscellaneous

  • Added get and get_total methods to the Progress class for obtaining the current step and the current total.
  • Added register_default_handler and clear_default_handler_output functions to the progress module.
  • Added mock data for circuit with negative differential resistance.
  • Added mock data for Randles circuit with diffusion.
  • Added noisy variants of mock data.
  • Added a set_default_values class method to circuit elements.
  • Refactored code.
  • Updated minimum versions of dependencies and removed support for Python 3.9.
  • Removed cvxpy from the list of supported optional dependencies.
  • Added canvas argument to Circuit.to_drawing method.
  • Changed some CLI argument names to improve consistency.

4.1.1 (2024/03/14)

  • Maintenance release that updates the version requirements for dependencies.
  • Support for Python 3.8 has been dropped due to minimum requirements set by one or more dependencies.
  • Support for Python 3.11 and 3.12 has been added.
  • Added Jinja2 as an explicit dependency.
  • Updated the automated determination of how many parallel processes to use.

4.1.0 (2023/04/03)

  • Added the L-curve corner search algorithm described in DOI:10.1088/2633-1357/abad0d as an approach for automatically finding the optimal regularization parameter in DRT methods that use Tikhonov regularization.
  • Added optional custom_labels keyword arguments to the Circuit.to_circuitikz and Circuit.to_drawing methods.
  • Updated descriptions for the command-line arguments with multiple valid string values.
  • Updated docstrings for the DRT calculation functions for the BHT and TR-RBF methods.
  • Fixed a bug where large negative num_procs arguments were not handled properly.

4.0.1 (2023/03/22)

  • Updated how perform_exploratory_tests handles cases where all mu values are greater than the mu-criterion.

4.0.0 (2023/03/20)

THIS UPDATE CONTAINS SEVERAL CHANGES THAT ARE NOT BACKWARDS COMPATIBLE WITH CODE WRITTEN USING VERSION 3.x!

  • Added a command-line interface for quickly performing tasks via a terminal. The CLI also has support for a configuration file with user-definable default values.
  • Added support for user-defined circuit elements, which can be registered using a register_element function along with some definition classes (e.g. ElementDefinition and ParameterDefinition).
  • Added several transmission line models for blocking and non-blocking porous electrodes.
  • Added support for parsing circuit description codes (CDCs) with additional metadata (e.g., version number). This can be used to help with parsing some older CDCs in the future if, e.g., the name of a circuit element's parameter has been changed.
  • Added a Container class (subclass of Element) that can have parameters and subcircuits.
  • Added a general transmission line model that is implemented as a subclass of Container.
  • Added support for parsing CDCs for elements based on the Container class. Subcircuits that are short circuits or open circuits can be specified with short (or zero) and open (or inf), respectively (e.g., cdc = "Tlm{X_1=short, Z_B=open}").
  • Added an implementation of the Z-HIT algorithm, which provides another means of data analysis/validation.
  • Added statsmodels as an explicit dependency.
  • Added Circuit.serialize method that returns a string that contains the corresponding CDC and some metadata (e.g., version number).
  • Added a get_label method to the FitResult and TestResult classes.
  • Added a colored_axes keyword argument to most of the plotting functions that can be used to set the colors of the y-axes to match that of the data plotted in those axes.
  • Added the xdg package as an explicit dependency and use it for determining where to place the optional config file for the command-line interface.
  • Added low_pass and high_pass methods to the DataSet class for quickly masking frequencies above or below a cutoff frequency, respectively.
  • Added support for using inf to indicate an infinite limit for an element parameter's lower or upper limit in a circuit description code (interpreted as either negative or positive if provided as the limit for the lower or upper limit, respectively).
  • Added type aliases for, e.g., frequencies, impedances, and residuals.
  • Added get_default_num_procs and set_default_num_procs functions. The former is used internally but may also be of interest for debugging. The latter can be used to globally set the number of process to use instead of setting the value of num_procs in the various function calls (e.g., fit_circuit).
  • Added numdifftools as explicit dependency.
  • Updated the function signatures of most plotting functions (e.g., to make them more consistent).
  • Updated title generation for FitResult objects in the plot.mpl.plot_fit function.
  • Updated data parsing to handle files containing multiple impedance spectra and to have a more consistent API (e.g., the individual parsers all return List[DataSet]).
  • Updated the progress module to support registration of multiple callbacks and the ability to unregister callbacks.
  • Updated the implementation of Circuit objects.
  • Updated the implementation of Connection objects:
    • These objects now include methods similar to those present in lists (append, extend, remove, etc.).
    • Parallel objects now properly handle paths that are short circuits or open circuits.
  • Updated the implementation of Element objects:
    • Elements no longer have static identifiers assigned to them but rather they are assigned dynamically as needed, which improves support for adding connections and/or elements after a Circuit object has been created.
    • Defining a new circuit element (i.e., a subclass of Element) requires much less boilerplate code and implements automatic generation of the class docstring.
    • It is now possible to calculate the impedance of a circuit element when the excitation frequency approaches zero or infinity. Note that some elements may raise an exception about infinite impedance when attempting to calculate the impedance at a limit (e.g., Capacitor when f -> 0).
  • Updated the DRT analysis module so that each method have their own result class based on a common DRTResult class.
  • Updated the TR-NNLS method implementation (DRT analysis) to use a new approach to automatically suggest regularization parameters.
  • Updated axis labels in plots.
  • Updated LaTeX output for element equations.
  • Updated parameter names/symbols of the de Levie element.
  • Updated the function signature for the m(RQ)fit method (DRT analysis).
  • Refactored circuit fitting, Kramers-Kronig testing, and m(RQ)fit (DRT analysis) to work with the dynamic identifiers.
  • Refactored the BHT method implementation (DRT analysis).
  • Refactored to use lazy imports, which avoids the overhead associated with importing dependencies until they are required.
  • Improved the performance of impedance calculations (e.g., by utilizing NumPy better and by removing redundant assertions).
  • Switched to Sphinx for documentation.
  • Fixed bugs in the calculations of the TR-RBF method (DRT analysis) when using the 2nd derivative order in combination with some radial basis functions.
  • Fixed a bug that prevented spreadsheet files from being detected as such when parsing data.
  • Fixed a bug that raised an exception when calling DataSet.to_dataframe with masked=True or masked=False when there were masked data points.
  • Fixed a bug that raised an exception when calling Connection.get_connections with flattened=False.
  • Fixed a bug that caused the Connection.get_elements method to return elements in the wrong order with flattened=False.
  • Fixed a bug that caused parallel connections to not properly handle short circuits.
  • Fixed a bug that caused m(RQ)fit result to incorrectly calculate time constants.
  • Fixed a bug that could cause an exception when calling sympy.sympify on an equation.

NOTE! The cvxopt package is now an optional dependency rather than an explicit one. If that package is not available for a particular platform, then it should now not prevent installation of pyimpspec. However, the TR-RBF method (DRT analysis) requires a convex optimizer package and attempting to use the method without one installed will raise an exception. Currently, kvxopt and cvxpy can also be used if cvxopt is not available. Kvxopt, which is a fork of cvxopt, may support a greater number of platforms (e.g., operating systems and/or hardware architectures). Windows and MacOS users should carefully read the installation instructions for cvxpy if deciding to install that package as it requires certain development tools to be installed first.

3.2.4 (2022/12/14)

  • Updated dependency versions.
  • Fixed a few bugs in calculations in the TR-RBF method (DRT analysis) when using 2nd order derivatives and either the Cauchy or the inverse quadric radial basis function.
  • Fixed a typo.

3.2.3 (2022/11/26)

  • Updated the parse_data function to try other parsers when the parser that was chosen based on the file extension fails.
  • Updated parsing of data stored as CSV.
  • Improved support for files containing data with decimal commas.

3.2.2 (2022/11/25)

  • Updated the .mpt parser to handle files without a metadata section.

3.2.1 (2022/11/22)

  • Fixed the BHT method (DRT analysis) so that it works properly when num_procs is set to greater than one and NumPy is using OpenBLAS.

3.2.0 (2022/11/01)

  • Added support for calculating the distribution of relaxation times using the m(RQ)fit method.
  • Added HavriliakNegamiAlternative as an element with an alternative form of Havriliak-Negami relaxation.
  • Added ModifiedInductor as an element for modeling non-ideal inductance.
  • Updated the assertion message related to valid methods in the calculate_drt function.
  • Updated the default lower and/or upper limits of some elements.
  • Updated how numpy.nan is handled when creating FittedParameter objects.
  • Refactored a minor portion of the TR-NNLS method (DRT analysis) code.
  • Refactored the pyimpspec.circuit.get_elements function to ensure all circuit elements have unique symbols.
  • Fixed a bug that caused the Circuit.get_connections method to return an empty list in some cases when invoked with flattened=True.
  • Fixed bugs that caused the Circuit.to_diagram method to produce incorrect results.

3.1.3 (2022/10/28)

  • Added support for kvxopt as an optional dependency as a drop-in replacement for cvxopt.
  • Updated how import errors related to the convex optimizers required by the TR-RBF method (DRT analysis) are handled, which should allow the rest of pyimpspec to function even if no convex optimizers can be imported successfully.

3.1.2 (2022/09/15)

  • Added the 3-sigma CI series to the legends of DRT plots.
  • Updated the order that the mean and 3-sigma CI series are plotted in DRT plots.

3.1.1 (2022/09/13)

  • Updated API documentation.

3.1.0 (2022/09/11)

  • Added Circuit.to_drawing method for drawing circuit diagrams using the schemdraw package.
  • Added schemdraw as an explicit dependency.
  • Added support for using the cvxpy package as an optional solver in DRT calculations (TR-RBF method only).
  • Added cvxpy as an optional dependency.
  • Added CircuitBuilder.__iadd__ method so that the += operator can be used instead of the CircuitBuilder.add method.
  • Updated Element.set_label, Element.set_fixed, Element.set_lower_limit, and Element.set_upper_limit methods to return the element so that the calls can be chained (e.g., Resistor(R=50).set_label("ct").set_fixed("R", True)).
  • Updated the default terminal labels used in circuit diagrams.
  • Updated how the title is generated in the mpl.plot_fit function.
  • Updated minimum versions for dependencies.

3.0.0 (2022/09/05)

Breaking changes in the API!

  • The KramersKronigResult class has been renamed to TestResult.
  • The FittingResult class has been renamed to FitResult.
  • DataSet, TestResult, and FitResult methods such as get_bode_data that previously returned base-10 logarithms of, e.g., frequencies now return the linear values.
  • The perform_exploratory_tests function now returns a list of results that have already been sorted from best to worst.
  • The score_test_results function has been removed.
  • The string_to_circuit function has been renamed to parse_cdc.
  • The fit_circuit_to_data function has been renamed to fit_circuit.
  • Some of the plotting function signatures have changed:
    • Added label, legend, and adjust_axes keyword arguments.
    • Added color arguments to the plot_circuit function.
    • The plot_mu_xps and plot_exploratory_test_results functions now take a List[TestResult] as the first argument.
    • Some argument names have changed (e.g., nyquist_color in plot_circuit has changed to color_nyquist).

  • Added support for calculating the distribution of relaxation times using a few different methods. See the calculate_drt function, which returns a DRTResult object, for details.
  • Added new functions to plot.mpl (plot_drt, plot_complex_impedance, etc.).
  • Added cvxopt and scipy as explicit dependencies.
  • Added get_connections and substitute_element methods to the Circuit and Connection classes.
  • Added a get_relative_error method to the FittedParameter class.
  • Added a calculate_score method to the TestResult class.
  • Added progress system that can be provided a callback to obtain information about progress during, e.g., Kramers-Kronig testing.
  • Added a CircuitBuilder class as an alternate means of creating circuits.
  • Updated the DataSet class to sort data points in descending order of frequency when instantiated.
  • Updated the plot.mpl.plot_* functions to make use of logarithmic scales instead of logarithmic values where applicable.
  • Updated the appearance of the figures generated by plot.mpl.plot_mu_xps.
  • Updated the DataSet.set_mask method to accept the use of numpy.bool_ values in masks.
  • Updated the return value of the to_latex method of circuits, elements, and connections.
  • Refactored to use generator expressions when performing, e.g., Kramers-Kronig tests.

2.2.0 (2022/08/10)

  • Added num_per_decade argument to the pyimpspec.plot.mpl.plot_fit function.
  • Added sorting of elements to the to_dataframe method in the FittingResult class.
  • Added tabulate package as explicit dependency.

2.1.0 (2022/08/04)

  • Added support for .mpt data format.
  • Refactored code.

2.0.1 (2022/08/01)

  • Added GitHub Actions workflow for testing the package on Linux (Ubuntu), MacOS, and Windows.
  • Fixed issues that prevented using the package with anything but Python 3.10.

2.0.0 (2022/07/31)

  • Added support for parsing the .i2b data format.
  • Added support for parsing the .P00 data format.
  • Updated minimum Python and dependency versions.
  • Updated documentation.
  • Refactored code.
  • Removed support for parsing .xls files.

1.1.0 (2022/07/13)

  • Added support for parsing the .dfr data format.
  • Refactored pyimpspec.data.formats.
  • Updated the API and its documentation.

1.0.1 (2022/07/05)

  • Updated docstrings.

1.0.0 (2022/06/16)

  • Added assertions to ensure that DataSet objects have at least one unmasked data point before performing a Kramers-Kronig test or a circuit fit.
  • Updated the parsing of .dta files to support files generated with the THD (total harmonic distortion) setting enabled.
  • Updated the validation of circuits prior to fitting.
  • Updated some of the messages of type assertions to print the variable(s) being tested.
  • Updated type assertions regarding DataSet objects to be more permissive in order to better support DearEIS.
  • Refactored the code related to turning dictionaries into DataSet objects in order to better support DearEIS.
  • Refactored the fitting and Kramers-Kronig testing modules to reduce code duplication.
  • Refactored pyimpspec.plot.mpl so that import * doesn't pollute the namespace.

0.1.3 (2022/04/04)

  • Updated the implementation of the .idf/.ids parser.
  • Updated assertion messages in .idf/.ids and .dta parsers.

0.1.2 (2022/03/29)

  • Added a missing trigger for raising an exception when encountering an unsupported file format.
  • Fixed a bug that prevented parsing of some .idf/.ids data files.

0.1.1 (2022/03/28)

  • Added a circuit validation step prior to fitting a circuit.

0.1.0 (2022/03/28)

  • Initial public beta release.