pub struct GiaoNmrEntry {
pub atom_index: usize,
pub element: u8,
pub tensor: [[f64; 3]; 3],
pub isotropic: f64,
pub anisotropy: f64,
pub chemical_shift: f64,
}Expand description
One isotope-specific shielding entry returned by the high-level GIAO API.
Fields§
§atom_index: usize§element: u8§tensor: [[f64; 3]; 3]§isotropic: f64§anisotropy: f64§chemical_shift: f64Trait Implementations§
Source§impl Clone for GiaoNmrEntry
impl Clone for GiaoNmrEntry
Source§fn clone(&self) -> GiaoNmrEntry
fn clone(&self) -> GiaoNmrEntry
Returns a duplicate of the value. Read more
1.0.0 · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreSource§impl Debug for GiaoNmrEntry
impl Debug for GiaoNmrEntry
Source§impl<'de> Deserialize<'de> for GiaoNmrEntry
impl<'de> Deserialize<'de> for GiaoNmrEntry
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Auto Trait Implementations§
impl Freeze for GiaoNmrEntry
impl RefUnwindSafe for GiaoNmrEntry
impl Send for GiaoNmrEntry
impl Sync for GiaoNmrEntry
impl Unpin for GiaoNmrEntry
impl UnsafeUnpin for GiaoNmrEntry
impl UnwindSafe for GiaoNmrEntry
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§impl<T> Pointable for T
impl<T> Pointable for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read moreSource§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).Source§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.