new_release New_add_doc (#71)
* Avoid simple pass in Exceptions
* Restrict coverage folders in GH action
* Removed ipython from poetry
* Refactored copy_log in cli.py
* How to setup for dev
* Improved exception handling
* Added a janitor fixture for pytest
* Fixed ver_today with pcregrep (linux/macos)
* Remove ipython dev dependency
* Test verboless
* Fixed bug for sorted atomPairs
* Test ILDN with -z exception
* Test ILDN with -z exception improved
* Corrected logger().exception use
* Install poetry via curl
* Pytest in random order
* Test for corrupt glycam
* Added sphinx and docs
* Adding docs, just starting
* Fixed some badges
* Added info about documenting
* Improved doc example
* Trying to refine actions
* Use dynamic year for copyright
* Tests for mol and mdl formats
* Test sqm fails due to wrong charge input
* Typings and docs
* Test for ekFlag
* Try/exception around setResNameCheckCoords()
* Remove try/exception around os.chdir(mol.rootDir)
* Tests about resname
* tests for empty amber files
* Test mol geometry
* Check resname
* convertSmilesToMol2: redundant obabel check
* Increasing coverage about charges
* Fixed regex in ver_today.sh
* Poetry added pyupgrade, pre-commit and sphinx
* Make check_acpype.py to work, still need more
* Pyupgraded
* Added printErrorQuoted
* pre-commit end-of-file-fixer
* pid and docstrings errors cleared
