pub struct CondensedFukuiAtom {
pub atom_index: usize,
pub f_plus: f64,
pub f_minus: f64,
pub f_radical: f64,
pub dual_descriptor: f64,
}Expand description
One condensed Fukui descriptor row for an atom.
Fields§
§atom_index: usizeAtom index in the input order.
f_plus: f64Nucleophilic-attack susceptibility proxy (f+).
f_minus: f64Electrophilic-attack susceptibility proxy (f-).
f_radical: f64Radical-attack susceptibility proxy (f0).
dual_descriptor: f64Dual descriptor (f+ - f-).
Trait Implementations§
Source§impl Clone for CondensedFukuiAtom
impl Clone for CondensedFukuiAtom
Source§fn clone(&self) -> CondensedFukuiAtom
fn clone(&self) -> CondensedFukuiAtom
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 CondensedFukuiAtom
impl Debug for CondensedFukuiAtom
Source§impl<'de> Deserialize<'de> for CondensedFukuiAtom
impl<'de> Deserialize<'de> for CondensedFukuiAtom
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 CondensedFukuiAtom
impl RefUnwindSafe for CondensedFukuiAtom
impl Send for CondensedFukuiAtom
impl Sync for CondensedFukuiAtom
impl Unpin for CondensedFukuiAtom
impl UnsafeUnpin for CondensedFukuiAtom
impl UnwindSafe for CondensedFukuiAtom
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.