DeepRank / deeprank

This repository has been integrated in https://github.com/DeepRank/deeprank2
Apache License 2.0
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Residue contacts #222

Closed cbaakman closed 3 years ago

cbaakman commented 3 years ago

This module should do the same as the AtomicFeature module, except that it computes features for a mutant residue and its surroundings. We will use this in a future implementation of deeprank for the EFRO project.

There's no test done to measure the correctness of the coulomb and vanderwaals energies. I need a tip on how to test this properly.

coveralls commented 3 years ago

Pull Request Test Coverage Report for Build 686359898


Changes Missing Coverage Covered Lines Changed/Added Lines %
deeprank/parse/top.py 28 29 96.55%
deeprank/parse/param.py 23 25 92.0%
deeprank/parse/patch.py 39 41 95.12%
deeprank/features/ResidueContacts.py 239 251 95.22%
<!-- Total: 367 384 95.57% -->
Totals Coverage Status
Change from base Build 653736360: 2.8%
Covered Lines: 1995
Relevant Lines: 2495

💛 - Coveralls