Struct PyDensityReal

pub struct PyDensityReal {
    pub complex_symmetric: bool,
    pub density_matrix: Array2<f64>,
    pub threshold: f64,
}

Python-exposed structure to marshall real electron density information between Rust and Python.

Fields

complex_symmetric: bool

A boolean indicating if inner products involving this density should be the complex-symmetric bilinear form, rather than the conventional Hermitian sesquilinear form.

density_matrix: Array2<f64>

The real density matrix describing this density.

threshold: f64

The threshold for comparing densities.

Trait Implementations

impl Clone for PyDensityReal

fn clone(&self) -> PyDensityReal

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<'py> IntoPyObject<'py> for PyDensityReal

type Target = PyDensityReal

The Python output type

type Output = Bound<'py, <PyDensityReal as IntoPyObject<'py>>::Target>

The smart pointer type to use.

type Error = PyErr

The type returned in the event of a conversion error.

fn into_pyobject( self, py: Python<'py>, ) -> Result<<Self as IntoPyObject<'_>>::Output, <Self as IntoPyObject<'_>>::Error>

Performs the conversion.

impl PyClass for PyDensityReal

type Frozen = False

Whether the pyclass is frozen.

impl PyClassImpl for PyDensityReal

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)]

const IS_IMMUTABLE_TYPE: bool = false

#[pyclass(immutable_type)]

const RAW_DOC: &'static CStr = /// Python-exposed structure to marshall real electron density information between Rust and Python.

Docstring for the class provided on the struct or enum.

const DOC: &'static CStr

Fully rendered class doc, including the text_signature if a constructor is defined.

type BaseType = PyAny

Base class

type ThreadChecker = SendablePyClass<PyDensityReal>

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

fn dict_offset() -> Option<isize>

fn weaklist_offset() -> Option<isize>

impl PyClassNewTextSignature for PyDensityReal

const TEXT_SIGNATURE: &'static str = "(complex_symmetric, density_matrix, threshold)"

impl<'a, 'holder, 'py> PyFunctionArgument<'a, 'holder, 'py, false> for &'holder PyDensityReal

type Holder = Option<PyClassGuard<'a, PyDensityReal>>

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

impl<'a, 'holder, 'py> PyFunctionArgument<'a, 'holder, 'py, false> for &'holder mut PyDensityReal

type Holder = Option<PyClassGuardMut<'a, PyDensityReal>>

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

impl PyMethods<PyDensityReal> for PyClassImplCollector<PyDensityReal>

fn py_methods(self) -> &'static PyClassItems

impl PyTypeInfo for PyDensityReal

const NAME: &'static str = "PyDensityReal"

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<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.

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

Checks if object is an instance of this type.

impl DerefToPyAny for PyDensityReal