Table 2. List of tests included in the FFEA tests suite.
test name | brief description |
---|---|
test_rngStream | unit tests on the random number generator |
test_volume | the intersection volume of two tetrahedra is checked against a known geometry |
test_script_loader | test of the input file reader for the “runner”. |
python_load_trajectory | test of loading a trajectory using the ffeatools. |
restart_check | restart check proving that the RNG used to simulate the thermal noise is used safely |
precomp_check | calculate the energy for a number of beads interacting through pre-computed potentials and compare it with the value obtained using Gromacs [36]. |
sphere_mass† | showing correct distribution of thermal energy for the Langevin scheme |
sphere_nomass† | showing correct distribution of thermal energy for the Brownian scheme |
sphere_diffusion_mass† | showing correct diffusional properties for the Langevin scheme |
sphere_diffusion_nomass† | showing correct diffusional properties for the Brownian scheme |
cyl_youngs_mod† | mechanical stretching of a cylindrical beam |
cyl_flexrig† | mechanical bending of a cylindrical beam |
steric_n_springs† | test of springs and steric interactions |
†Tests explained in detail in the main text.