Property Finalization (#303)

* Minor fixes

* Prevent cyclic imports in property framework

* Use Property framework for ElectronicStructureDrivers

* Clean up tests

* Deprecate QMolecule class

* Deprecate WatsonHamiltonian class

* Partially clean up docs

* Migrate PySCFDriver to property framework

* Fix spell

* Fix lint

* Fix html

* Fix unittests

* Fix GaussianFromMat unittest

This tests an internal method of the driver which is yet to be
refactored to use the Property framework.

* Move imports to toplevel

The previous cyclic import issues do not occur since the removal of
qiskit_nature.drivers.second_quantization.QMolecule

* Improve typehint

* Implement missing __str__ methods

* Filter some deprecation warnings

* WIP tutorial

* Add Property.log() method

* Disable false-positive pylint for Python 3.6

* Deprecate BaseProblem.molecule_data* properties

* Ensure legacy driver+transformer stack still works

* Filter more warnings during unittesting

* Fix linters

* Apply suggestions from code review

Co-authored-by: dlasecki <[email protected]>

* Fix style after suggestions commit

* Property framework doc updates

* Update Problem docs

* Update Transformer docs

* Update tutorial

* Add reno

* Fix linters

* Fix reno formatting and spell

* Add Molecule.__str__ method

* Fix docstrings referring to legacy driver results

* Deprecate bosonic_bases in favor of properties bases

* Fix linters

* Filter warnings in CI

* Make ParticleNumber expected check tolerance configurable

* Enable expected spin to be set on AngularMomentum property

* Move mismatching expected value log to INFO level

* Review comments

Co-authored-by: Dariusz Lasecki <[email protected]>

* Docstring formatting

Co-authored-by: Steve Wood <[email protected]>

* Fix docstring correctness

* Suppress DeprecationWarnings on driver level

* Rerun tutorial

* Re-enable skipped unittest (might break CI)

* Filter warnings in Psi4 process

* Fix 4-th level heading HTML rendering

* Add ElectronicEnergy.from_raw_integrals utility method

* Fix GaussianForcesDriver unittest

* Filter deprecation warning in CI

* More doc rendering fixes

* Apply suggestions from code review

Co-authored-by: Steve Wood <[email protected]>

* Fix FermionicOp Warning msg format (#330)

* Avoid UserWarning in tutorial

* Improve ParticleNumber.__str__

* Truncate integral printing output

* Fix unittests

* Fix more unittests

* Fix mypy

* Apply suggestions from code review

Co-authored-by: Steve Wood <[email protected]>

Co-authored-by: Manoel Marques <[email protected]>
Co-authored-by: dlasecki <[email protected]>
Co-authored-by: Steve Wood <[email protected]>

.pylintdict

@@ -142,6 +142,7 @@ gaussiand
 getitem
 getter
 gfortran
+github
 glutamic
 glutamine
 glycine
@@ -328,6 +329,7 @@ rccx
 readme
 realise
 rebranding
+refactor
 regs
 repr
 rhf
@@ -373,6 +375,7 @@ str
 subcircuits
 subclasses
 submodules
+subtest
 subtype
 succ
 sudo

README.md

@@ -74,7 +74,7 @@ problem = ElectronicStructureProblem(driver)
 second_q_ops = problem.second_q_ops()
 main_op = second_q_ops[0]
 
-particle_number = problem.properties_transformed.get_property("ParticleNumber")
+particle_number = problem.grouped_property_transformed.get_property("ParticleNumber")
 
 num_particles = (particle_number.num_alpha, particle_number.num_beta)
 num_spin_orbitals = particle_number.num_spin_orbitals

docs/apidocs/qiskit_nature.transformers.second_quantization.electronic.rst

@@ -0,0 +1,6 @@
+.. _qiskit_nature-transformers-second_quantization-electronic:
+
+.. automodule:: qiskit_nature.transformers.second_quantization.electronic
+   :no-members:
+   :no-inherited-members:
+   :no-special-members: