Strain

[samwaseda]

Calculation of local strain.

Example:

from pyiron_atomistics import Project
pr = Project('.')
bulk = pr.create.structure.bulk('Fe', cubic=True)
structure = bulk.apply_strain(np.random.random((3,3))*0.1, return_box=True)
print(structure.analyse.get_strain(bulk))

[coveralls]

Pull Request Test Coverage Report for Build 1197250093

• 103 of 106 (97.17%) changed or added relevant lines in 2 files are covered.
• 11 unchanged lines in 2 files lost coverage.
• Overall coverage increased (+0.3%) to 68.295%

---

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
pyiron_atomistics/atomistics/structure/strain.py	100	103	97.09%

Files with Coverage Reduction	New Missed Lines	%
pyiron_atomistics/atomistics/structure/has_structure.py	5	85.0%
pyiron_atomistics/atomistics/job/structurecontainer.py	6	77.22%

Totals
Change from base Build 1163488168:	0.3%
Covered Lines:	11085
Relevant Lines:	16231

---

💛 - Coveralls

[liamhuber]

Strains class has unit tests outstanding.

Otherwise a few nits, but the functionality seems great and I have no complaints about the overall architecture. As soon as the unit tests are there (and it's PEP8 linted!!!) I'm happy.

[samwaseda]

So now I finally installed a PEP8 plugin (which I'll hopefully regularly use from now on) so it should be fine :)

[pmrv]

I've made some formatting suggestions to play nice with sphinx, but looks good otherwise!