UnitTesting

[lupoglaz]

Current unit tests are manual in most cases. We should automate it further and use torch.autograd.grad_check to check gradients instead of homemade code.

Precision checks are also needed.

[lupoglaz]

FullAtomModel: unittest 0693e2d48ec97d8d31aef42e1c56b16dc42faebe missing tests: Transforms backwards

[lupoglaz]

Reduced model unit tests, transform backward tests: 303be093b4b59f0d3717d08c5790d1d1715afa95

Jacobian is not precise for cuda implemenetation, need additional attention to this problem

[lupoglaz]

Covered the code in automatic unit tests. The following problems remain:

1. CoordsRotate for float32 gives considerable error, does not pass jacobian check
2. TypedCoords2Volume is still visual
3. Angles2Coords for all residues one atom is somewhat off

[lupoglaz]

Additional test to do:

1. Volume multiplication
2. Volume rotation