143 lines
4.4 KiB
Plaintext
143 lines
4.4 KiB
Plaintext
---
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title: MolecularChemistryResult
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description: API reference for qiskit.chemistry.core.MolecularChemistryResult
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in_page_toc_min_heading_level: 1
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python_api_type: class
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python_api_name: qiskit.chemistry.core.MolecularChemistryResult
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---
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# MolecularChemistryResult
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<Class id="qiskit.chemistry.core.MolecularChemistryResult" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/core/chemistry_operator.py" signature="MolecularChemistryResult(a_dict=None)" modifiers="class">
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Bases: `qiskit.aqua.algorithms.algorithm_result.AlgorithmResult`
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Molecular chemistry Result
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Energies are in Hartree and dipole moments in A.U unless otherwise stated.
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## Methods
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### clear
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.clear" signature="MolecularChemistryResult.clear()">
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**Return type**
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`None`
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</Function>
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### combine
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.combine" signature="MolecularChemistryResult.combine(result)">
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Any property from the argument that exists in the receiver is updated. :type result: `AlgorithmResult` :param result: Argument result with properties to be set.
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**Raises**
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**TypeError** – Argument is None
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**Return type**
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`None`
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</Function>
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### copy
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.copy" signature="MolecularChemistryResult.copy()" />
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### fromkeys
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.fromkeys" signature="MolecularChemistryResult.fromkeys(iterable, value=None)" modifiers="classmethod" />
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### get
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.get" signature="MolecularChemistryResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None." />
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### items
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.items" signature="MolecularChemistryResult.items() → a set-like object providing a view on D’s items" />
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### keys
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.keys" signature="MolecularChemistryResult.keys() → a set-like object providing a view on D’s keys" />
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### pop
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.pop" signature="MolecularChemistryResult.pop(key, default=None)">
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If key is not found, d is returned if given, otherwise KeyError is raised.
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**Return type**
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`object`
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</Function>
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### popitem
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.popitem" signature="MolecularChemistryResult.popitem()">
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as a 2-tuple; but raise KeyError if D is empty.
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**Return type**
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`Tuple`\[`object`, `object`]
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</Function>
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### setdefault
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.setdefault" signature="MolecularChemistryResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D" />
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### update
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.update" signature="MolecularChemistryResult.update(*args, **kwargs)">
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If E present and has a .keys() method, does: for k in E: D\[k] = E\[k] If E present and lacks .keys() method, does: for (k, v) in E: D\[k] = v In either case, this is followed by: for k, v in F.items(): D\[k] = v
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**Return type**
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`None`
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</Function>
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### values
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<Function id="qiskit.chemistry.core.MolecularChemistryResult.values" signature="MolecularChemistryResult.values() → an object providing a view on D’s values" />
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## Attributes
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### algorithm\_result
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<Attribute id="qiskit.chemistry.core.MolecularChemistryResult.algorithm_result">
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Returns raw algorithm result
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**Return type**
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`AlgorithmResult`
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</Attribute>
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### hartree\_fock\_energy
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<Attribute id="qiskit.chemistry.core.MolecularChemistryResult.hartree_fock_energy">
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Returns Hartree-Fock energy
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**Return type**
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`float`
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</Attribute>
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### nuclear\_dipole\_moment
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<Attribute id="qiskit.chemistry.core.MolecularChemistryResult.nuclear_dipole_moment">
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Returns nuclear dipole moment X,Y,Z components in A.U when available from driver
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**Return type**
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`Optional`\[`Tuple`\[`Optional`\[`float`], `Optional`\[`float`], `Optional`\[`float`]]]
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</Attribute>
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### nuclear\_repulsion\_energy
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<Attribute id="qiskit.chemistry.core.MolecularChemistryResult.nuclear_repulsion_energy">
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Returns nuclear repulsion energy when available from driver
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**Return type**
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`Optional`\[`float`]
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</Attribute>
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</Class>
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