List of changes in-between nanite releases.

version 1.6.1

  • enh: if the contact point estimate is not possible, use a fit with a partially constant and linear function

version 1.6.0

  • enh: improve contact point estimation by computing the gradient first; resolves issues with tilted baselines (#6) (This may affect fitting results slightly, hence the new minor release)

version 1.5.5

  • setup: make tkinter optional for frozen applications

version 1.5.4

  • setup: bump scikit-learn from 0.18.0 to 0.23.0 (different model results due to bugfixes, enhancements, or random sampling procedures; the tests have been updated accordingly)
  • setup: bump afmformats from 0.10.0 to 0.10.2

version 1.5.3

  • setup: new builds for Python 3.8

version 1.5.2

  • enh: be more verbose when tip position cannot be computed
  • setup: bump afmformats from 0.7.0 to 0.10.0

version 1.5.1

  • setup: bump afmformats from 0.6.0 to 0.7.0 (metadata fixes)

version 1.5.0

  • feat: IndentationGroup.get_enum returns a curve from an enum value
  • setup: bump afmformats from 0.5.0 to 0.6.0 (hdf5 export, improved tab export)

version 1.4.1

  • enh: set parameter baseline to “vary” for all models
  • fix: make sure that model_key is set before params_initial when fitting with kwargs (otherwise, params_initial might reset)

version 1.4.0

  • feat: add function Indentation.get_rating_parameters
  • feat: compute additional ancillary parameter “Maximum indentation”
  • feat: new functions model.get_parm_unit and updated model.get_parm_name to work with ancillary parameters as well

version 1.3.0

  • feat: allow to define ancillary parameters for models and use them during fitting by default
  • feat: Indentation.get_initial_fit_parameters now automatically computes common and model-related ancillary parameters if no initial parameters are present
  • enh: allow to set the model_key in more functions of Indentation
  • ref: use idnt to represent Indentation instances
  • fix: preprocessing steps not stored in Indentation.preprocessing
  • setup: bump afmformats from 0.4.1 to 0.5.0

version 1.2.4

  • enh: update boundaries and default values for model parameters

version 1.2.3

  • fix: FitProperties did not detect changes in “params_initial”

version 1.2.2

  • setup: bump afmformats version from 0.3.0 to 0.4.1

version 1.2.1

  • enh: skip computation of tip position if it is already in the dataset and cannot be computed e.g. due to missing spring constant
  • fix: typo in get_data_paths_enum
  • setup: bump afmformats version from 0.2.0 to 0.3.0

version 1.2.0

  • tests: np.asscalar is deprecated
  • ref: migrate to afmformats (#1)
  • docs: minor improvements

version 1.1.2

  • fix: add __version__ property
  • tests: use time.perf_counter for timing tests
  • docs: improved LaTeX rendering

version 1.1.1

  • setup: migrate to PEP 517 (pyproject.toml)
  • docs: minor update

version 1.1.0

  • feat: add contact point to available features in qmap visualization
  • fix: avoid two invalid operations when computing features

version 1.0.1

  • fix: invalid operation when loading data with a callback function

version 1.0.0

  • docs: minor update

version 0.9.3

  • enh: store nanite and h5py library versions in rating container
  • enh: update hyperparameters of rating regressors
  • ref: deprecation in h5py: replace dataset.value by dataset[…]

version 0.9.2

  • ref: renamed the mode model_hertz_parabolic to model_hertz_paraboloidal to be consistent
  • docs: updat code reference and other minor improvements

version 0.9.1

  • fix: preprocessing keyword not working in Indentation.fit_model
  • docs: add another scripting example and minor improvements
  • tests: increase coverage

version 0.9.0

  • ref: remove legacy “discrete” feature type
  • ref: renamed kwargs for Indetation.rate_quality
  • ref: new method nanite.load_group for loading experimental data
  • ref: new class for managing data
  • ref: replace dataset.IndentationDataSet with group.IndentationGroup to avoid ambiguities
  • fix: add missing “zef18” training set
  • fix: sample weight computation failed when a rating level was missing
  • enh: add nanite-generate-training-set command line program
  • tests: reduce warnings and increase coverage
  • cleanup: old docs in
  • docs: major update using helper extensions

version 0.8.0

  • initial release