pub struct StereoAnalysis {
pub stereocenters: Vec<Stereocenter>,
pub double_bonds: Vec<DoubleBondStereo>,
pub n_stereocenters: usize,
pub n_double_bonds: usize,
}Expand description
Complete stereochemistry analysis result.
Fields§
§stereocenters: Vec<Stereocenter>Detected stereocenters with R/S assignments.
double_bonds: Vec<DoubleBondStereo>Detected double bonds with E/Z assignments.
n_stereocenters: usizeTotal number of chiral centers found.
n_double_bonds: usizeTotal number of E/Z-assignable double bonds.
Trait Implementations§
Source§impl Clone for StereoAnalysis
impl Clone for StereoAnalysis
Source§fn clone(&self) -> StereoAnalysis
fn clone(&self) -> StereoAnalysis
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 StereoAnalysis
impl Debug for StereoAnalysis
Source§impl<'de> Deserialize<'de> for StereoAnalysis
impl<'de> Deserialize<'de> for StereoAnalysis
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 StereoAnalysis
impl RefUnwindSafe for StereoAnalysis
impl Send for StereoAnalysis
impl Sync for StereoAnalysis
impl Unpin for StereoAnalysis
impl UnsafeUnpin for StereoAnalysis
impl UnwindSafe for StereoAnalysis
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.