[WIP] - MPcule API

[espottesmith]

Work in progress

Creating a new API for molecular data collections, to be used both in isolation and in an upcoming Materials Project web app.

Contributor Checklist

• I have broken down my PR scope into the following TODO tasks
  • Write routes and query classes for all new MPcule collections
  • Make querying easier by adding metadata fields
  • Partially rewrite to use Entry classes, (hopefully) coming soon in pymatgen
• I have run the tests locally and they passed.
• I have added tests, or extended existing tests, to cover any new features or bugs fixed in this PR

[espottesmith]

Seems there's an issue setting up the tests - @munrojm any idea what's up?

[munrojm]

Look like an issue with conda env install in the actions workflow. My other branch isn't having an issue so I am going to re-run and see if it persists. If it does, I will take a closer look.

[codecov-commenter]

Codecov Report

Base: 90.49% // Head: 91.97% // Increases project coverage by +1.48% 🎉

Coverage data is based on head (d0ab441) compared to base (9ba6350).
Patch coverage: 100.00% of modified lines in pull request are covered.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #645      +/-   ##
==========================================
+ Coverage   90.49%   91.97%   +1.48%     
==========================================
  Files         133      101      -32     
  Lines        9760     8770     -990     
==========================================
- Hits         8832     8066     -766     
+ Misses        928      704     -224     

Impacted Files	Coverage Δ
emmet-core/emmet/core/molecules/summary.py	97.47% <100.00%> (+0.13%)	⬆️
emmet-core/emmet/core/qchem/molecule.py	85.71% <100.00%> (+1.81%)	⬆️
emmet-core/emmet/core/vasp/calc_types/enums.py	100.00% <0.00%> (ø)
...mmet-api/emmet/api/routes/materials/hint_scheme.py
...api/routes/electronic_structure/query_operators.py
emmet-api/emmet/api/__init__.py
...et-api/emmet/api/routes/chemenv/query_operators.py
...-api/emmet/api/routes/synthesis/query_operators.py
...met-api/emmet/api/routes/synthesis/data_adaptor.py
...mmet-api/emmet/api/routes/bonds/query_operators.py
... and 49 more

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[espottesmith]

Think we're good here @munrojm!