nomad-camels-toolbox 0.4.0

This package provides easy access to data generated with nomad-camels

NOMAD CAMELS toolbox

This package provides easy access to data generated with NOMAD CAMELS.

Simplify your data evaluation with the NOMAD CAMELS toolbox! More information about the toolbox can be found in the documentation of NOMAD CAMELS.

Optional Dependencies

To install the NOMAD CAMELS toolbox, run

pip install nomad-camels-toolbox[all]

in the Python environment you use for your evaluation. This installs all optional dependencies to use the full functionality. The following options are all included when using all.

Single installation options can be installed by using pip install nomad-camels-toolbox[option-name] (see pip install documentation). The options are:

• pandas: This installs pandas as a powerful package for data evaluation along with the toolbox, so the data can be read directly as a pandas.DataFrame.
• plotly: Installs plotly, lmfit and pandas. It enables to automatically recreate the plots made in CAMELS, using plotly figures.
• qt: Installs PySide6 and pyqtgraph. This is used to provide a GUI, to quickly investigate data from CAMELS.

Changelog

0.4.0

• Can now recreate plots from CAMELS files using suitcase-nomad-camels-hdf5 version > 1.0.0

  Fully supports complex nested protocols and multiple plots with fits.

0.3.2

• Display data as points and fits as dashed lines

0.3.0

• Now compatible with more nested data structure from CAMELS 1.9.0

0.2.9

• added direct link to the toolbox documentation

0.2.8

• Fixed a bug when using data_set_key

0.2.7

• made selection of dataset in reader more intuitive

0.2.4

• plots now show legend over the plot, not anymore making the plot tiny
• fixed optional dependencies

0.2.3

• fixed plots not being made if two plots had the same name

0.2.2

Fixes:

• fixed import problems

0.2.1

Features:

• custom plots in qt-viewer

Fixes:

• installation fixed
• qt viewer more stable

0.2.0

Features:

• Recreating plots from CAMELS with a single function
• UI tool to view data in a simplified way

0.1.2

Fixes:

• fixed returning of dataframes for different shapes of the data