Struct chemfiles::ResidueRef

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pub struct ResidueRef<'a> { /* private fields */ }
Expand description

An analog to a reference to a residue (&Residue)

Methods from Deref<Target = Residue>§

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pub fn size(&self) -> usize

Get the number of atoms in this residue.

Example
let mut residue = Residue::new("water");
assert_eq!(residue.size(), 0);

residue.add_atom(0);
residue.add_atom(1);
residue.add_atom(2);
assert_eq!(residue.size(), 3);
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pub fn id(&self) -> Option<i64>

Get the identifier of this residue in the initial topology file.

Example
let residue = Residue::with_id("", 42);
assert_eq!(residue.id(), Some(42));
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pub fn name(&self) -> String

Get the name of this residue.

Example
let residue = Residue::new("water");
assert_eq!(residue.name(), "water");
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pub fn contains(&self, atom: usize) -> bool

Check if the atom at index i is in this residue

Example
let mut residue = Residue::new("water");
assert_eq!(residue.contains(56), false);

residue.add_atom(56);
assert_eq!(residue.contains(56), true);
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pub fn atoms(&self) -> Vec<usize>

Get the list of atoms of this residue.

Example
let mut residue = Residue::new("water");
assert_eq!(residue.atoms(), vec![]);

residue.add_atom(56);
assert_eq!(residue.atoms(), vec![56]);
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pub fn get(&self, name: &str) -> Option<Property>

Get a property with the given name in this frame, if it exist.

Examples
let mut residue = Residue::new("ALA");
residue.set("foo", Property::Double(22.2));

assert_eq!(residue.get("foo"), Some(Property::Double(22.2)));
assert_eq!(residue.get("Bar"), None);
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pub fn properties(&self) -> PropertiesIter<'_>

Get an iterator over all (name, property) pairs for this frame

Examples
let mut residue = Residue::new("ALA");
residue.set("foo", Property::Double(22.2));
residue.set("bar", Property::Bool(false));

for (name, property) in residue.properties() {
    if name == "foo" {
        assert_eq!(property, Property::Double(22.2));
    } else if name == "bar" {
        assert_eq!(property, Property::Bool(false));
    }
}

Trait Implementations§

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impl<'a> Debug for ResidueRef<'a>

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more
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impl<'a> Deref for ResidueRef<'a>

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type Target = Residue

The resulting type after dereferencing.
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fn deref(&self) -> &Residue

Dereferences the value.

Auto Trait Implementations§

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impl<'a> RefUnwindSafe for ResidueRef<'a>

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impl<'a> !Send for ResidueRef<'a>

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impl<'a> !Sync for ResidueRef<'a>

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impl<'a> Unpin for ResidueRef<'a>

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impl<'a> UnwindSafe for ResidueRef<'a>

Blanket Implementations§

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

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
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impl<T> BorrowMut<T> for T
where T: ?Sized,

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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more
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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into<U> for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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impl<T, U> TryFrom<U> for T
where U: Into<T>,

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type Error = Infallible

The type returned in the event of a conversion error.
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fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
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impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

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

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.