Fix minor bug when printing fit results with most model parameters frozen #329
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stestoll
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Jun 2, 2022
luisfabib
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* bumb version to v0.15.0-dev (#307) * examples: fix identifiablity analysis grid values (#314) * remove line that should be substituted by the subsequent GHA (#313) * Use Scipy's `eigh` instead of Numpy's to avoid convergence error (#311) * Use Scipy's eigh instead of Numpy's to avoid convergence error * fix error * Enable the pickling of DeerLab's objects (#312) * fix pickling of fit result objects * add save and load utility functions for pickling, add test * improve test * fix pickling of model objects * fix pickling of merged and linearly combined models * fix pickling of model objects with linked parameters * fix some tests * fix pickling of model objects with functionalized parameters - introduces the dill package as a dependency * fix error * improve docstrings and add to API reference * rename save to store_pickle and load to load_pickle add safety warning about reading pickles * rename imports * remove unused import * fix another import error * `docs`: add important note to user guide on experimental deadtime correction (#320) * Fix dependency of DeerLab's documentation logo on system fonts (#328) * add specific web font of DeerLab's title font * docs: make web logo independent of system fonts * docs: minor CSS fixes * fix minor bug when printing fit results with most parameters frozen (#329) * Fix bug when propagating bootstrapped uncertainty in presence of round-off errors (#325) * UQresult: expand join() method to work with bootstrapped results * fix bug when propagating bootstrapped results with round-off errors * docs: add docstring for evaluate and propagate methods (#321) * bump version to v0.14.1 * update changelog * docs: minor edits, CSS fixes, and one 404 fix (#331) * docs: minor edits, CSS fixes, and one 404 fix * add missing functions to reference * minor edit and fix * update changelog
luisfabib
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Jun 29, 2022
* bumb version to v0.15.0-dev (#307) * examples: fix identifiablity analysis grid values (#314) * remove line that should be substituted by the subsequent GHA (#313) * Use Scipy's `eigh` instead of Numpy's to avoid convergence error (#311) * Use Scipy's eigh instead of Numpy's to avoid convergence error * fix error * Enable the pickling of DeerLab's objects (#312) * fix pickling of fit result objects * add save and load utility functions for pickling, add test * improve test * fix pickling of model objects * fix pickling of merged and linearly combined models * fix pickling of model objects with linked parameters * fix some tests * fix pickling of model objects with functionalized parameters - introduces the dill package as a dependency * fix error * improve docstrings and add to API reference * rename save to store_pickle and load to load_pickle add safety warning about reading pickles * rename imports * remove unused import * fix another import error * `docs`: add important note to user guide on experimental deadtime correction (#320) * Fix dependency of DeerLab's documentation logo on system fonts (#328) * add specific web font of DeerLab's title font * docs: make web logo independent of system fonts * docs: minor CSS fixes * fix minor bug when printing fit results with most parameters frozen (#329) * Fix bug when propagating bootstrapped uncertainty in presence of round-off errors (#325) * UQresult: expand join() method to work with bootstrapped results * fix bug when propagating bootstrapped results with round-off errors * docs: add docstring for evaluate and propagate methods (#321) * docs: minor edits, CSS fixes, and one 404 fix (#331) * docs: minor edits, CSS fixes, and one 404 fix * add missing functions to reference * minor edit and fix * Remove hard dependency of the DeerLab's installation routine and scripts on MKL (#330) * installation: remove hard dependency of installer on MKL - simplify setup.py - update workflows - add new script for linking against MKL in Windows * fixr random numerical error and warning during tests * check failing tests * CI workflow, do not use caching * change Ci job names * Avoid use of pre-release Numpy versions during installation (#336) * setup.py: avoid installation of numpy pre-releases * Fix randomly failing GHA WinOS workflow (#337) * refactor CI workflow * reintroduce MKL for GHA WinOS runners * fix MKL upgrade script * answer yes to uninstall * Prevent potential future bugs when normalizing distributions throughout (#335) * `bootstrap_analysis`: better noise estimation and add option to specify noise levels (#334) * bootstrap_analysis: allow specifying noise levels - otherwise estimate noise level from experimental dataset not from the fit residuals * refactor bootstrap_analysis for more general and faster tests * Fix automated upload to PyPI via token (#338) * Correct behavior of L-curve selection methods (#340) * selregparam: fix behavior of L-curve (LC method) selection criterion * selregparam: prevent `np.log(0)=np.inf ` cases in L-curve methods * selregparam: remove useless line from a debugging stage * Remove unused lines in `dipolarmodel` (#341) * Fix apparent typo * Remove unused lines Co-authored-by: Luis Fabregas <luis.fabregas@phys.chem.ethz.ch> * `dipolarmodel`: Fix error when specifying a limited excitation bandwidth (#342) * dipolarmodel: fix bug when specifying the excitation bandwidth * small fix * fix logic error * fit: properly pass the user-supplied noise level to the bootstrapping (#343) * remove unused lines in example (#345) * Fix documentation navigation menu on mobile phones and collapsed windows and other edits (#346) * fix navigation menu on mobile phone and collapsed windows * remove unnecessary navbar items * remove non-existent references * minor CSS fix * bump version to v0.14.2 * update changelog to v0.14.2 * setup.py: fix merge error Co-authored-by: edmundxcvi <59712516+edmundxcvi@users.noreply.github.com>
luisfabib
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Aug 10, 2022
* bumb version to v0.15.0-dev (#307) * examples: fix identifiablity analysis grid values (#314) * remove line that should be substituted by the subsequent GHA (#313) * Use Scipy's `eigh` instead of Numpy's to avoid convergence error (#311) * Use Scipy's eigh instead of Numpy's to avoid convergence error * fix error * Enable the pickling of DeerLab's objects (#312) * fix pickling of fit result objects * add save and load utility functions for pickling, add test * improve test * fix pickling of model objects * fix pickling of merged and linearly combined models * fix pickling of model objects with linked parameters * fix some tests * fix pickling of model objects with functionalized parameters - introduces the dill package as a dependency * fix error * improve docstrings and add to API reference * rename save to store_pickle and load to load_pickle add safety warning about reading pickles * rename imports * remove unused import * fix another import error * `docs`: add important note to user guide on experimental deadtime correction (#320) * Fix dependency of DeerLab's documentation logo on system fonts (#328) * add specific web font of DeerLab's title font * docs: make web logo independent of system fonts * docs: minor CSS fixes * fix minor bug when printing fit results with most parameters frozen (#329) * Fix bug when propagating bootstrapped uncertainty in presence of round-off errors (#325) * UQresult: expand join() method to work with bootstrapped results * fix bug when propagating bootstrapped results with round-off errors * docs: add docstring for evaluate and propagate methods (#321) * docs: minor edits, CSS fixes, and one 404 fix (#331) * docs: minor edits, CSS fixes, and one 404 fix * add missing functions to reference * minor edit and fix * Remove hard dependency of the DeerLab's installation routine and scripts on MKL (#330) * installation: remove hard dependency of installer on MKL - simplify setup.py - update workflows - add new script for linking against MKL in Windows * fixr random numerical error and warning during tests * check failing tests * CI workflow, do not use caching * change Ci job names * Avoid use of pre-release Numpy versions during installation (#336) * setup.py: avoid installation of numpy pre-releases * Fix randomly failing GHA WinOS workflow (#337) * refactor CI workflow * reintroduce MKL for GHA WinOS runners * fix MKL upgrade script * answer yes to uninstall * Prevent potential future bugs when normalizing distributions throughout (#335) * `bootstrap_analysis`: better noise estimation and add option to specify noise levels (#334) * bootstrap_analysis: allow specifying noise levels - otherwise estimate noise level from experimental dataset not from the fit residuals * refactor bootstrap_analysis for more general and faster tests * Fix automated upload to PyPI via token (#338) * Correct behavior of L-curve selection methods (#340) * selregparam: fix behavior of L-curve (LC method) selection criterion * selregparam: prevent `np.log(0)=np.inf ` cases in L-curve methods * selregparam: remove useless line from a debugging stage * Remove unused lines in `dipolarmodel` (#341) * Fix apparent typo * Remove unused lines Co-authored-by: Luis Fabregas <luis.fabregas@phys.chem.ethz.ch> * `dipolarmodel`: Fix error when specifying a limited excitation bandwidth (#342) * dipolarmodel: fix bug when specifying the excitation bandwidth * small fix * fix logic error * fit: properly pass the user-supplied noise level to the bootstrapping (#343) * remove unused lines in example (#345) * Fix documentation navigation menu on mobile phones and collapsed windows and other edits (#346) * fix navigation menu on mobile phone and collapsed windows * remove unnecessary navbar items * remove non-existent references * minor CSS fix * docs: force light theme even in dark themed browsers (#350) * fit: avoid unfreezing of all parameters when applying normalization (#352) * Background models mathematical fixes (#351) * bg_models: fix sign of background phase-shift's time-dependence * add strong tests against numerical integration * fix small mathematical errors in bg_homfractal models * Fix scheduled CI test suite (#353) * fix scheduled CI - deprecate testing of Python 3.6 and 3.7 - add MKL linking to Windows - fix pip installation errors * fix typo in package name * Modelling system quality of life improvements (#354) * model: add method setas to import parameter metadata * add hyperparameter info to results summary * improve attribute request error messages in FitResult object * improve error messaging during model evaluation * Fix errors in GHA publishing workflow (#355) * fix build and publish to PyPI and Anaconda - deprecate conda support for python 3.6 and 3.7 * minor edit * Minor edits to files edited in previous PRs (#356) * fix minor logic error * minor documentation update * fix minor bug * docs: fix theme package version to solve dark theme issues (#359) * docs: fix theme package version to solve dark theme issues * upgrade Python version in workflows * use older Sphinx version to build for compatibility * UQResults: add docstrings for undocumented attributes (#360) * dd_randcoil: fix description of model parameters (#361) * add chemistry travel award funding to support page (#364) * Fix PyPI and Anaconda build and upload workflows (#363) * fix PyPI build and upload workflow according to official Python docs * fix GHA for conda build and upload * docs: fix multiple CSS issues and flex container bugs (#365) * bump VERSION to v0.14.4 * update the changelog * `fit`: add missing arguments to docstring (#367) * `dipolarmodel`: add `pulselength` optional argument to experiment models (#368) * model: add start values and frozen values to the printed parameter table (#369) * update changelog Co-authored-by: edmundxcvi <59712516+edmundxcvi@users.noreply.github.com>
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