Add openfermion conversion module to qml.qchem #2371
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Codecov Report
@@ Coverage Diff @@
## master #2371 +/- ##
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Coverage 99.42% 99.42%
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Files 244 244
Lines 18360 18300 -60
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- Hits 18254 18195 -59
+ Misses 106 105 -1
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qchem/tests/test_convert.py
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| from pennylane import numpy as np | ||
| from pennylane import qchem | ||
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| pytest.importorskip("openfermion") |
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Does the order matter for the lines
from openfermion import QubitOperator and pytest.importorskip("openfermion")?
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As far as I understand the pytest docs, I think the pytest.importorskip("openfermion") should come before attempting to import QubitOperator.
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Modified it to openfermion = pytest.importorskip("openfermion") and then used openfermion.QubitOperator everywhere.
qchem/tests/test_convert.py
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| from pennylane import numpy as np | ||
| from pennylane import qchem | ||
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| pytest.importorskip("openfermion") |
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As far as I understand the pytest docs, I think the pytest.importorskip("openfermion") should come before attempting to import QubitOperator.
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Looks great @soranjh. Just left a couple of minor comments. |
…nyLaneAI/pennylane into qchem_openfermion_conversion
pennylane/__init__.py
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| from pennylane.ops import convert | ||
| from pennylane.ops.convert import import_operator |
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The module convert.py which hosts functions for converting openfermion operator objects to pennylane objects is moved from qml.qchem to qml.ops because of the generality of the module.
tests/ops/test_convert.py
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| openfermion = pytest.importorskip("openfermion") | ||
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| @pytest.fixture( |
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Moved from qml.qchem.tests.conftest to here.
soranjh
changed the title
…nyLaneAI/pennylane into qchem_openfermion_conversion
soranjh
changed the title
Context:
This PR unifies the functions needed for converting openfermion objects to pennylane observables, also see here.
Description of the Change:
The
qml.hf.convertmodule is moved insideqml.qchemand other functions are modified to adapt with this change.Benefits:
Helps with decreasing external dependencies.
Possible Drawbacks:
NA
Related GitHub Issues:
NA