ryjmacdonell / gimbal

Properties and transformations of 3D molecular geometries
MIT License
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TrajDump conversion #24

Closed ryjmacdonell closed 5 years ago

ryjmacdonell commented 7 years ago

fileio.convert does not handle TrajDump files with multiple lines correctly. The output is just a blank file. The fileio.convert_trajdump function will take multi-line files, but it won't handle blank lines or lines with strings after the first line.