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to cover new functions and kwarg changes\r\n* fix tests to accommodate kwarg updates in dihedrals module\r\n* explanation of why figdir is a kwarg at top level of dihedrals module but a positional argument elsewhere - workflows base **kwargs, issue #244, see in-line comment in dihedrals.py\r\n* temporary fix for figdir issue which should currently be a positional argument, but would require redundant rewrite of workflows base module, pending issue #244\r\n* upcoming CHANGES\r\n* remove dafault scope specification for defined functions\r\n* reimplement try/except method for rdkit conversion topology element guessing\r\n* generate combined plots pdf for automated dihedral analysis\r\n* updates for implementation of pypdf in workflows dihedrals module: CHANGES, testing environment, requirements, sphinx source configuration\r\n* documentation for dihedral_violins function in workflows dihedrals module\r\n* documentation for get_paired_indices function in workflows dihedrals module\r\n* documentation and kwarg definition for get_paired_indices function and ab_pairs dictionary object in workflows dihedrals module\r\n* kwarg definition for plot_title for dihedral_violins function in workflows dihedrals module\r\n* move in-line comments explaining figdir kward for workflows dihedrals module\r\n* reorganize kwargs for plot_dihedral_violins in top-level automated_dihedral_analysis function call in workflows dihedrals module\r\n* add assert method to make figdir kwarg required in workflows dihedrals module\r\n* change MDA guess_atom_element to MDA guess_types for RDKit conversion in workflows dihedrals module\r\n* fix registry import error for workflows base, close #245\r\n* remove guess_atom_element import\r\n* reimplement assert figdir reuired for workflows dihedrals module\r\n* add pypdf to setup.py install_requires for dihedrals workflow\r\n* change imports to follow PEP 8\r\n* modify dihedrals workflow docs to explain figdir kwarg requirement\r\n* use first solvent specified to build MDAnalysis Universe\r\n* modify single solvent plotting method, add solvent count assertion\r\n* comment expected fixture scope changes, reference issue #235\r\n* remove solute.unwrap, not needed\r\n* reference issue #260 to fix jupyter notebook figure output\r\n* finalize single solvent figure modifications and add test\r\n\r\n---------\r\n\r\nCo-authored-by: Oliver Beckstein <orbeckst@gmail.com>","shortMessageHtmlLink":"Dihedral Plots: RDKit Mol Object (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1593404872\" data-permission-text=\"Title is private\" data-url=\"https://github.com/Becksteinlab/MDPOW/issues/243\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/Becksteinlab/MDPOW/pull/243/hovercard\" 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