ase_unittests module

Full Documentation for hippynn.interfaces.ase_interface.ase_unittests module. Click here for a summary page.

Unit tests for ASE Graph construction.

ASE_FilterPair_Coulomb_Construct()[source]

Construct ASE Calculator from a HIPNN model with multiple PairIndexers and Coulomb Energy Node. Ensures that graph construction using PairFilter does not break ASE graph.

Returns:: status : True if ASE calculator can be built. exception : Caught Exception if ASE calculator build fails.