Struct qsym2::bindings::python::integrals::PyBasisAngularOrder

pub struct PyBasisAngularOrder { /* private fields */ }

Python-exposed structure to marshal basis angular order information between Python and Rust.

Constructor arguments

• basis_atoms - A vector of tuples, each of which provides information for one basis atom in the form (element, basis_shells). Here:

  • element is a string giving the element symbol of the atom, and
  • basis_shells is a vector of tuples, each of which provides information for one basis shell on the atom in the form (angmom, cart, order). Here:
    • angmom is a symbol such as "S" or "P" for the angular momentum of the shell,
    • cart is a boolean indicating if the functions in the shell are Cartesian (true) or pure / solid harmonics (false), and
    • order specifies how the functions in the shell are ordered:
      • if cart is true, order can be None for lexicographic order, or a list of tuples (lx, ly, lz) specifying a custom order for the Cartesian functions where lx, ly, and lz are the $x$-, $y$-, and $z$-exponents, respectively;
      • if cart is false, order can be true for increasing-$m$ order, false for decreasing-$m$ order, or a list of $m$ values for custom order.

  Python type: list[tuple[str, list[tuple[str, bool, Optional[list[tuple[int, int, int]]] | bool | list[int]]]]].

Trait Implementations

impl HasPyGilRef for PyBasisAngularOrder

type AsRefTarget = PyCell<PyBasisAngularOrder>

Utility type to make Py::as_ref work.

impl IntoPy<Py<PyAny>> for PyBasisAngularOrder

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

Performs the conversion.

impl PyClass for PyBasisAngularOrder

type Frozen = False

Whether the pyclass is frozen.

impl PyClassImpl for PyBasisAngularOrder

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<PyBasisAngularOrder>

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<PyBasisAngularOrder> for PyClassImplCollector<PyBasisAngularOrder>

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

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

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

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

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

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

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

impl PyMethods<PyBasisAngularOrder> for PyClassImplCollector<PyBasisAngularOrder>

fn py_methods(self) -> &'static PyClassItems

impl PyTypeInfo for PyBasisAngularOrder

const NAME: &'static str = "PyBasisAngularOrder"

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 PyBasisAngularOrder