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mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.
GNU Lesser General Public License v3.0
72 stars 19 forks source link

Fixed Pandas Issue #79

Closed Mayank447 closed 1 year ago

Mayank447 commented 1 year ago

Fixed the issue #78

Essentially casted to list and numpy arrays in generic_core.py and cartesian_coordinates/_indexers.py files. The efficiency of sets is still retained. We only cast to list as iloc no longer accepts indexers from pandas 2.0 onwards.

ghutchis commented 1 year ago

Fixes #78 and #72

mcocdawc commented 1 year ago

Thank you very much for your work here!

mcocdawc commented 1 year ago

Unfortunately this is not yet enough, but that is my fault, since some of the tests were not executed.