Dihedral Plots: RDKit Mol Object#243

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orbeckst merged 90 commits intodevelopfrom

Jul 4, 2023

Commits on Feb 21, 2023

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Commits on Mar 25, 2023

Merge branch 'develop' into plot-Mol
cadeduckworth
authored

Commits on Apr 2, 2023

Commits on Apr 3, 2023

Commits on Apr 4, 2023

Merge branch 'develop' into plot-Mol
orbeckst
authored

Commits on Apr 15, 2023

remove unused kwargs and update docs for new functions
cadeduckworth
committed
rewrite docs to cover new functions and kwarg changes
cadeduckworth
committed
fix tests to accommodate kwarg updates in dihedrals module
cadeduckworth
committed
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
cadeduckworth
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reorder positional and key word args
cadeduckworth
committed
accommodation for figdir kwarg
cadeduckworth
committed
docs typo
cadeduckworth
committed
docs typos
cadeduckworth
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temporary fix for figdir issue which should currently be a positional argument, but would require redundant rewrite of workflows base module, pending issue #244
cadeduckworth
committed
upcoming CHANGES
cadeduckworth
committed

Commits on Jun 9, 2023

Commits on Jun 11, 2023

Commits on Jun 22, 2023

Commits on Jun 27, 2023

Merge branch 'develop' into plot-Mol
orbeckst
authored

Commits on Jul 1, 2023

Commits on Jul 4, 2023

finalize single solvent figure modifications and add test
cadeduckworth
committed