mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.
GNU Lesser General Public License v3.0
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Assert that dtype other than object is returned when slicing #26

Closed mcocdawc closed 7 years ago

mcocdawc commented 7 years ago
molecule = cc.Cartesian.read_xyz(...)
molecule.dtypes

gives correctly ['O', 'f8', 'f8', 'f8'] But if a series would be returned from a dataframe the output is different:

molecule.loc[1].dtypes

gives ['O', 'O', 'O', 'O']