iodata.test.test_gromacs module¶

Test iodata.formats.gromacs module.

check_water(mol)[source]¶: Test some things on a water file.

test_load_many()[source]¶: Test water gro file with two frames.

test_load_water()[source]¶: Test gro file of one water.

test_load_without_velocities()[source]¶: A GRO file without velocity columns should set velocities to None.