Struct qsym2::bindings::python::representation_analysis::slater_determinant::PySlaterDeterminantReal

pub struct PySlaterDeterminantReal { /* private fields */ }

Python-exposed structure to marshall real Slater determinant information between Rust and Python.

Constructor arguments

• spin_constraint - The spin constraint applied to the coefficients of the determinant. Python type: PySpinConstraint.
• complex_symmetric - A boolean indicating if inner products involving this determinant are complex-symmetric. Python type: bool.
• coefficients - The real coefficients for the molecular orbitals of this determinant. Python type: list[numpy.2darray[float]].
• occupations - The occupation patterns for the molecular orbitals. Python type: list[numpy.1darray[float]].
• threshold - The threshold for comparisons. Python type: float.
• mo_energies - The optional real molecular orbital energies. Python type: Optional[list[numpy.1darray[float]]].
• energy - The optional real determinantal energy. Python type: Optional[float].

Trait Implementations

impl Clone for PySlaterDeterminantReal

fn clone(&self) -> PySlaterDeterminantReal

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl HasPyGilRef for PySlaterDeterminantReal

type AsRefTarget = PyCell<PySlaterDeterminantReal>

Utility type to make Py::as_ref work.

impl IntoPy<Py<PyAny>> for PySlaterDeterminantReal

fn into_py(self, py: Python<'_>) -> PyObject

Performs the conversion.

impl PyClass for PySlaterDeterminantReal

type Frozen = False

Whether the pyclass is frozen.

impl PyClassImpl for PySlaterDeterminantReal

const IS_BASETYPE: bool = false

#[pyclass(subclass)]

const IS_SUBCLASS: bool = false

#[pyclass(extends=…)]

const IS_MAPPING: bool = false

#[pyclass(mapping)]

const IS_SEQUENCE: bool = false

#[pyclass(sequence)]

type BaseType = PyAny

Base class

type ThreadChecker = SendablePyClass<PySlaterDeterminantReal>

This handles following two situations:

type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild

Immutable or mutable

type Dict = PyClassDummySlot

Specify this class has #[pyclass(dict)] or not.

type WeakRef = PyClassDummySlot

Specify this class has #[pyclass(weakref)] or not.

type BaseNativeType = PyAny

The closest native ancestor. This is PyAny by default, and when you declare #[pyclass(extends=PyDict)], it’s PyDict.

fn items_iter() -> PyClassItemsIter

fn doc(py: Python<'_>) -> PyResult<&'static CStr>

Rendered class doc

fn lazy_type_object() -> &'static LazyTypeObject<Self>

fn dict_offset() -> Option<isize>

fn weaklist_offset() -> Option<isize>

impl PyClassNewTextSignature<PySlaterDeterminantReal> for PyClassImplCollector<PySlaterDeterminantReal>

fn new_text_signature(self) -> Option<&'static str>

impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a PySlaterDeterminantReal

type Holder = Option<PyRef<'py, PySlaterDeterminantReal>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a mut PySlaterDeterminantReal

type Holder = Option<PyRefMut<'py, PySlaterDeterminantReal>>

fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

impl PyMethods<PySlaterDeterminantReal> for PyClassImplCollector<PySlaterDeterminantReal>

fn py_methods(self) -> &'static PyClassItems

impl PyTypeInfo for PySlaterDeterminantReal

const NAME: &'static str = "PySlaterDeterminantReal"

Class name.

const MODULE: Option<&'static str> = ::core::option::Option::None

Module name, if any.

fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject

Returns the PyTypeObject instance for this type.

fn type_object(py: Python<'_>) -> &PyType

👎Deprecated since 0.21.0: PyTypeInfo::type_object will be replaced by PyTypeInfo::type_object_bound in a future PyO3 version

Returns the safe abstraction over the type object.

fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.

fn is_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_type_of will be replaced by PyTypeInfo::is_type_of_bound in a future PyO3 version

Checks if object is an instance of this type or a subclass of this type.

fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type or a subclass of this type.

fn is_exact_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_exact_type_of will be replaced by PyTypeInfo::is_exact_type_of_bound in a future PyO3 version

Checks if object is an instance of this type.

fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type.

impl DerefToPyAny for PySlaterDeterminantReal