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Property Finalization #303

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merged 71 commits into from
Aug 18, 2021
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0beb546
Minor fixes
mrossinek Aug 2, 2021
1c57b91
Prevent cyclic imports in property framework
mrossinek Aug 3, 2021
b9be8b8
Use Property framework for ElectronicStructureDrivers
mrossinek Aug 3, 2021
e35f1d6
Clean up tests
mrossinek Aug 3, 2021
7133662
Deprecate QMolecule class
mrossinek Aug 4, 2021
9f8ada7
Deprecate WatsonHamiltonian class
mrossinek Aug 4, 2021
c20df57
Partially clean up docs
mrossinek Aug 4, 2021
bd542b6
Migrate PySCFDriver to property framework
mrossinek Aug 4, 2021
8af3b9e
Fix spell
mrossinek Aug 4, 2021
0b6b463
Fix lint
mrossinek Aug 4, 2021
f529c58
Fix html
mrossinek Aug 4, 2021
321366b
Fix unittests
mrossinek Aug 4, 2021
464a769
Fix GaussianFromMat unittest
mrossinek Aug 4, 2021
acdee05
Move imports to toplevel
mrossinek Aug 4, 2021
da48e62
Improve typehint
mrossinek Aug 4, 2021
8aad0c2
Implement missing __str__ methods
mrossinek Aug 4, 2021
09be9db
Filter some deprecation warnings
mrossinek Aug 4, 2021
6beb0ea
WIP tutorial
mrossinek Aug 4, 2021
96da656
Add Property.log() method
mrossinek Aug 4, 2021
a46bbce
Merge branch 'main' into property_finalization
mrossinek Aug 4, 2021
fb71666
Merge branch 'main' into property_finalization
manoelmarques Aug 5, 2021
4830327
Disable false-positive pylint for Python 3.6
mrossinek Aug 6, 2021
2509152
Deprecate BaseProblem.molecule_data* properties
mrossinek Aug 6, 2021
7772abc
Ensure legacy driver+transformer stack still works
mrossinek Aug 6, 2021
d90b316
Filter more warnings during unittesting
mrossinek Aug 6, 2021
d405e2b
Fix linters
mrossinek Aug 6, 2021
9afdba4
Apply suggestions from code review
mrossinek Aug 11, 2021
e21bfc8
Merge branch 'main' into property_finalization
mrossinek Aug 11, 2021
c8a1e64
Fix style after suggestions commit
mrossinek Aug 11, 2021
c37229b
Property framework doc updates
mrossinek Aug 11, 2021
ea6d2ae
Update Problem docs
mrossinek Aug 11, 2021
4d0e8e3
Update Transformer docs
mrossinek Aug 11, 2021
c6c37c7
Update tutorial
mrossinek Aug 11, 2021
d5ab419
Add reno
mrossinek Aug 11, 2021
9f192de
Fix linters
mrossinek Aug 11, 2021
59b788c
Fix reno formatting and spell
mrossinek Aug 11, 2021
82dfd48
Merge branch 'main' into property_finalization
mrossinek Aug 11, 2021
3227c83
Add Molecule.__str__ method
mrossinek Aug 11, 2021
abc891e
Fix docstrings referring to legacy driver results
mrossinek Aug 13, 2021
bb2d97a
Deprecate bosonic_bases in favor of properties bases
mrossinek Aug 13, 2021
b967631
Fix linters
mrossinek Aug 13, 2021
ea73cc5
Filter warnings in CI
mrossinek Aug 13, 2021
623ccb3
Make ParticleNumber expected check tolerance configurable
mrossinek Aug 13, 2021
09b3c5a
Enable expected spin to be set on AngularMomentum property
mrossinek Aug 13, 2021
c1c8be4
Merge branch 'main' into property_finalization
mrossinek Aug 13, 2021
6771508
Move mismatching expected value log to INFO level
mrossinek Aug 13, 2021
935ce60
Merge branch 'main' into property_finalization
mrossinek Aug 17, 2021
ec6187b
Review comments
mrossinek Aug 17, 2021
c56ea27
Docstring formatting
mrossinek Aug 17, 2021
b6aaf67
Fix docstring correctness
mrossinek Aug 17, 2021
adabf99
Suppress DeprecationWarnings on driver level
mrossinek Aug 17, 2021
d3fa83d
Rerun tutorial
mrossinek Aug 17, 2021
4466d25
Re-enable skipped unittest (might break CI)
mrossinek Aug 17, 2021
bd1ae9a
Filter warnings in Psi4 process
mrossinek Aug 17, 2021
435f8fb
Fix 4-th level heading HTML rendering
mrossinek Aug 17, 2021
e099772
Merge branch 'main' into property_finalization
mrossinek Aug 17, 2021
b1a60c8
Add ElectronicEnergy.from_raw_integrals utility method
mrossinek Aug 17, 2021
a18f0ab
Fix GaussianForcesDriver unittest
mrossinek Aug 17, 2021
bee3031
Filter deprecation warning in CI
mrossinek Aug 17, 2021
94608b7
Merge branch 'main' into property_finalization
mrossinek Aug 17, 2021
836af13
More doc rendering fixes
mrossinek Aug 17, 2021
8761a30
Apply suggestions from code review
mrossinek Aug 18, 2021
63025a1
Fix FermionicOp Warning msg format (#330)
woodsp-ibm Aug 18, 2021
ddfd5a1
Avoid UserWarning in tutorial
mrossinek Aug 18, 2021
25afd4a
Improve ParticleNumber.__str__
mrossinek Aug 18, 2021
c8489ed
Truncate integral printing output
mrossinek Aug 18, 2021
8be7c1d
Merge branch 'main' into property_finalization
mrossinek Aug 18, 2021
4f3e96a
Fix unittests
mrossinek Aug 18, 2021
bc47bbe
Fix more unittests
mrossinek Aug 18, 2021
68f8da1
Fix mypy
mrossinek Aug 18, 2021
c08f3e3
Apply suggestions from code review
mrossinek Aug 18, 2021
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Fix mypy
mrossinek committed Aug 18, 2021
commit 68f8da178315e794e59ff35997258aa1bef0c9d7
Original file line number Diff line number Diff line change
@@ -17,7 +17,7 @@

def read_expected_file(path: str) -> List[Tuple[Union[str, float], ...]]:
"""Reads and parses resource file."""
expected_fermionic_op = []
expected_fermionic_op: List[Tuple[Union[str, float], ...]] = []
with open(path, "r") as file:
for line in file:
coeff, *labels = line.split()