tfep.tests

Test objects and function of the tfep library.

Functions

benzoic_acid_universe()	Return an MDAnalysis.Universe representing a benzoic acid molecule.
water_universe(n_waters)	Return a universe with n_waters water molecules.

Classes

MockPotential([positions_unit, energy_unit])

Mock potential to test TFEPMaps.

Modules

app	Test objects and function in the package tfep.app.
io
nn	Test objects and function of the tfep.nn package.
potentials
utils