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UnitTesting #13

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lupoglaz opened this issue Oct 19, 2018 · 4 comments
Open

UnitTesting #13

lupoglaz opened this issue Oct 19, 2018 · 4 comments
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@lupoglaz
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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 lupoglaz added this to the Release 0.2 milestone Oct 19, 2018
@lupoglaz
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FullAtomModel: unittest 0693e2d
missing tests:
Transforms backwards

@lupoglaz
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Reduced model unit tests, transform backward tests: 303be09

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

@lupoglaz
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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
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Additional test to do:

  1. Volume multiplication
  2. Volume rotation

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