Struct PyBasisAngularOrder 

pub struct PyBasisAngularOrder { /* private fields */ }

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

Implementations

impl PyBasisAngularOrder

pub fn to_qsym2<'b, 'a: 'b>( &'b self, mol: &'a Molecule, ) -> Result<BasisAngularOrder<'b>, Error>

Extracts the information in the PyBasisAngularOrder structure into QSym2’s native BasisAngularOrder structure.

Arguments

• mol - The molecule with which the basis set information is associated.

Returns

The BasisAngularOrder structure with the same information.

Errors

Errors if the number of atoms or the atom elements in mol do not match the number of atoms and atom elements in self, or if incorrect shell order types are specified.

Trait Implementations

impl Clone for PyBasisAngularOrder

fn clone(&self) -> PyBasisAngularOrder

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<'py> IntoPyObject<'py> for PyBasisAngularOrder

type Target = PyBasisAngularOrder

The Python output type

type Output = Bound<'py, <PyBasisAngularOrder 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 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)]

const IS_IMMUTABLE_TYPE: bool = false

#[pyclass(immutable_type)]

const RAW_DOC: &'static CStr = /// Python-exposed structure to marshall basis angular order information between Python and Rust.

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

fn dict_offset() -> Option<isize>

fn weaklist_offset() -> Option<isize>

impl PyClassNewTextSignature for PyBasisAngularOrder

const TEXT_SIGNATURE: &'static str = "(basis_atoms)"

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<'_>) -> 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 PyBasisAngularOrder

impl ExtractPyClassWithClone for PyBasisAngularOrder