balsa 0.3.2

Reference implementation for the Balsa molecular line notation.
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37

use crate::feature::BondKind;

#[derive(Debug, PartialEq, Clone)]
pub struct Bond {
    pub kind: BondKind,
    pub tid: usize,
}

impl Bond {
    pub fn elided(tid: usize) -> Self {
        Self {
            kind: BondKind::Elided,
            tid,
        }
    }

    pub fn single(tid: usize) -> Self {
        Self {
            kind: BondKind::Single,
            tid,
        }
    }

    pub fn double(tid: usize) -> Self {
        Self {
            kind: BondKind::Double,
            tid,
        }
    }

    pub fn triple(tid: usize) -> Self {
        Self {
            kind: BondKind::Triple,
            tid,
        }
    }
}