[−][src]Struct gchemol_geometry::Superposition

pub struct Superposition {
    pub rmsd: f64,
    pub translation: Vector3f,
    pub rotation_matrix: Matrix3f,
}

The result of alignment defining how to superimpose.

Fields

rmsd: f64

superpostion rmsd

translation: Vector3f

translation vector

rotation_matrix: Matrix3f

rotation matrix

Methods

`impl Superposition`[src]

`pub fn apply(&self, conf: &[[f64; 3]]) -> Vec<[f64; 3]>`[src]

Apply superposition to other structure

Trait Implementations

`impl Clone for Superposition`[src]

`fn clone(&self) -> Superposition`[src]

`fn clone_from(&mut self, source: &Self)`1.0.0[src]

`impl Debug for Superposition`[src]

`fn fmt(&self, f: &mut Formatter) -> Result`[src]

Auto Trait Implementations

`impl RefUnwindSafe for Superposition`

`impl Send for Superposition`

`impl Sync for Superposition`

`impl Unpin for Superposition`

`impl UnwindSafe for Superposition`

Blanket Implementations

`impl<T> Any for T where T: 'static + ?Sized,` [src]

`fn type_id(&self) -> TypeId`[src]

`impl<T> Borrow<T> for T where T: ?Sized,` [src]

`fn borrow(&self) -> &T`[src]

`impl<T> BorrowMut<T> for T where T: ?Sized,` [src]

`fn borrow_mut(&mut self) -> &mut T`[src]

`impl<T> From<T> for T`[src]

`fn from(t: T) -> T`[src]

`impl<T, U> Into for T where U: From<T>,` [src]

`fn into(self) -> U`[src]

`impl<T> Same<T> for T`

`type Output = T`

Should always be Self

`impl<SS, SP> SupersetOf<SS> for SP where SS: SubsetOf<SP>,`

`fn to_subset(&self) -> Option<SS>`

`fn is_in_subset(&self) -> bool`

`unsafe fn to_subset_unchecked(&self) -> SS`

`fn from_subset(element: &SS) -> SP`

`impl<T> ToOwned for T where T: Clone,` [src]

`type Owned = T`

The resulting type after obtaining ownership.

`fn to_owned(&self) -> T`[src]

`fn clone_into(&self, target: &mut T)`[src]

`impl<T, U> TryFrom for T where U: Into<T>,` [src]

`type Error = Infallible`

The type returned in the event of a conversion error.

`fn try_from(value: U) -> Result<T, <T as TryFrom>::Error>`[src]

`impl<T, U> TryInto for T where U: TryFrom<T>,` [src]

`type Error = >::Error`

The type returned in the event of a conversion error.

[−][src]Struct gchemol_geometry::Superposition

Fields

Methods

impl Superposition[src]

pub fn apply(&self, conf: &[[f64; 3]]) -> Vec<[f64; 3]>[src]

Trait Implementations

impl Clone for Superposition[src]

fn clone(&self) -> Superposition[src]

fn clone_from(&mut self, source: &Self)1.0.0[src]

impl Debug for Superposition[src]

fn fmt(&self, f: &mut Formatter) -> Result[src]

Auto Trait Implementations

impl RefUnwindSafe for Superposition

impl Send for Superposition

impl Sync for Superposition

impl Unpin for Superposition

impl UnwindSafe for Superposition

Blanket Implementations

impl<T> Any for T where T: 'static + ?Sized, [src]

fn type_id(&self) -> TypeId[src]

impl<T> Borrow<T> for T where T: ?Sized, [src]

fn borrow(&self) -> &T[src]

impl<T> BorrowMut<T> for T where T: ?Sized, [src]

fn borrow_mut(&mut self) -> &mut T[src]

impl<T> From<T> for T[src]

fn from(t: T) -> T[src]

impl<T, U> Into<U> for T where U: From<T>, [src]

fn into(self) -> U[src]

impl<T> Same<T> for T

type Output = T

impl<SS, SP> SupersetOf<SS> for SP where SS: SubsetOf<SP>,

fn to_subset(&self) -> Option<SS>

fn is_in_subset(&self) -> bool

unsafe fn to_subset_unchecked(&self) -> SS

fn from_subset(element: &SS) -> SP

impl<T> ToOwned for T where T: Clone, [src]

type Owned = T

fn to_owned(&self) -> T[src]

fn clone_into(&self, target: &mut T)[src]

impl<T, U> TryFrom<U> for T where U: Into<T>, [src]

type Error = Infallible

fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>[src]

impl<T, U> TryInto<U> for T where U: TryFrom<T>, [src]

type Error = <U as TryFrom<T>>::Error

fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>[src]

impl<V, T> VZip<V> for T where V: MultiLane<T>,

fn vzip(self) -> V