Struct chemfiles::ResidueRef
source · pub struct ResidueRef<'a> { /* private fields */ }
Expand description
An analog to a reference to a residue (&Residue
)
Methods from Deref<Target = Residue>§
sourcepub fn size(&self) -> usize
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);
sourcepub fn id(&self) -> Option<i64>
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));
sourcepub fn name(&self) -> String
pub fn name(&self) -> String
Get the name of this residue.
Example
let residue = Residue::new("water");
assert_eq!(residue.name(), "water");
sourcepub fn contains(&self, atom: usize) -> bool
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);
sourcepub fn atoms(&self) -> Vec<usize>
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]);
sourcepub fn get(&self, name: &str) -> Option<Property>
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);
sourcepub fn properties(&self) -> PropertiesIter<'_> ⓘ
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§
source§impl<'a> Debug for ResidueRef<'a>
impl<'a> Debug for ResidueRef<'a>
Auto Trait Implementations§
impl<'a> RefUnwindSafe for ResidueRef<'a>
impl<'a> !Send for ResidueRef<'a>
impl<'a> !Sync for ResidueRef<'a>
impl<'a> Unpin for ResidueRef<'a>
impl<'a> UnwindSafe for ResidueRef<'a>
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