[−][src]Struct molconv::Frame
Representation of a single frame of an MD trajectory
Fields
num_atoms: u32
Number of atoms in the frame
step: u32
Trajectory step
time: f32
Time step
box_vector: [[f32; 3]; 3]
3x3 box vector
coords: Vec<[f32; 3]>
3D coordinates for N atoms where N is num_atoms
Methods
impl Frame
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pub fn new() -> Frame
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pub fn with_capacity(num_atoms: u32) -> Frame
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pub fn filter_coords(self: &mut Frame, indeces: &[usize])
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Trait Implementations
Auto Trait Implementations
impl Send for Frame
impl Sync for Frame
impl Unpin for Frame
impl UnwindSafe for Frame
impl RefUnwindSafe for Frame
Blanket Implementations
impl<T, U> Into<U> for T where
U: From<T>,
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U: From<T>,
impl<T> From<T> for T
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impl<T> ToOwned for T where
T: Clone,
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T: Clone,
type Owned = T
The resulting type after obtaining ownership.
fn to_owned(&self) -> T
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fn clone_into(&self, target: &mut T)
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impl<T, U> TryFrom<U> for T where
U: Into<T>,
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U: Into<T>,
type Error = !
The type returned in the event of a conversion error.
fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>
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impl<T, U> TryInto<U> for T where
U: TryFrom<T>,
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U: TryFrom<T>,
type Error = <U as TryFrom<T>>::Error
The type returned in the event of a conversion error.
fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>
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impl<T> Borrow<T> for T where
T: ?Sized,
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T: ?Sized,
impl<T> BorrowMut<T> for T where
T: ?Sized,
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T: ?Sized,
fn borrow_mut(&mut self) -> &mut T
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impl<T> Any for T where
T: 'static + ?Sized,
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T: 'static + ?Sized,