Calkulate: total alkalinity from titration data in Python

Merge pull request #47 from mvdh7/develop

Merge for v23.6.1

Calkulate: total alkalinity from titration data in Python

Changes in v23.5

• Added to_pandas method to Dataset for a more convenient downgrade to a pandas DataFrame.
• Improved docstrings for several key functions and classes.
• Fixed bugs in logicals in various calk.dataset functions which had meant that NaN values in the metadata file were not always being ignored.
• Fixed bug in the Dataset.solve method such that the analyte_mass is now automatically calculated from analyte_volume.
• Switched to using pyproject.toml instead of setup.py for building the package.
• Renamed module io as read.

Calkulate: total alkalinity from titration data in Python

Changes in v23.4

• Swapped deprecated pandas .iteritems for .items.
• Improvements to Titration class.

Calkulate: total alkalinity from titration data in Python

Changes in v23.3

• Switched to simpler version numbering scheme (only major and minor, no patch).
• Added a test of the DSC07 SOP 3b example dataset.
• Updated for compatibility with PyCO2SYS v1.8.1 (but no longer with v1.8.0).

Calkulate: total alkalinity from titration data in Python

Changes in v23.2.2

• More properties calculated during titrations.

Calkulate: total alkalinity from titration data in Python

Changes in v23.2.1

• Solver functions return additional diagnostic information about each titration.

Calkulate: total alkalinity from titration data in Python

Changes in v23.2.0

• Adds (as yet undocumented) Titration class for investigating single titrations.
• Adds (as yet undocumented) plotting functions for Titration objects.

Calkulate: total alkalinity from titration data in Python

Changes in v23.1.0

• Add solvers for titrations with an H₂SO₄ titrant (see optional titrant column in the metadata contents).
• Added optional titrant_density column to overwrite the internally calculated titrant density with a user-specified value.

Calkulate: total alkalinity from titration data in Python

Changes in v23.0.2

• Better handling of missing dates in files imported with read_dbs.
• Minor adjustments and bug fixes in a few internal functions.

Calkulate: total alkalinity from titration data in Python

Changes in v23.0.1

• Print more informative error messages when titration data files cannot be found.
• Use read_dat_genfromtxt by default if read_dat_method not recognised, instead of throwing an error.