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mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.
GNU Lesser General Public License v3.0
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Detect linearity in reference when converting zmat -> cartesian #20

Closed mcocdawc closed 7 years ago

mcocdawc commented 7 years ago

Detect linearity in reference when converting zmat -> cartesian and throw UndefinedCoordinateSystem exception

mcocdawc commented 7 years ago

Implement a contextmanager to switch between automatic and manual insertion