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use crate::mol::Bond; use crate::mol::Style; pub fn valence(bonds: &Vec<Bond>) -> u8 { bonds.iter().fold(0, |total, bond| { match bond.style { Some(Style::Single) => total + 1, Some(Style::Double) => total + 2, Some(Style::Triple) => total + 3, Some(Style::Quadruple) => total + 4, Some(Style::Aromatic) => total + 1, Some(Style::Up) => total + 1, Some(Style::Down) => total + 1, None => total + 1 } }) } #[cfg(test)] mod test { use super::*; #[test] fn none_none() { let bonds = vec![ Bond { tid: 0, style: None }, Bond { tid: 1, style: None } ]; assert_eq!(valence(&bonds), 2); } #[test] fn single_single() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Single) }, Bond { tid: 1, style: Some(Style::Single) } ]; assert_eq!(valence(&bonds), 2); } #[test] fn single_double() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Single) }, Bond { tid: 0, style: Some(Style::Double) } ]; assert_eq!(valence(&bonds), 3); } #[test] fn single_triple() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Single) }, Bond { tid: 0, style: Some(Style::Triple) } ]; assert_eq!(valence(&bonds), 4); } #[test] fn single_quadruple() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Single) }, Bond { tid: 0, style: Some(Style::Quadruple) } ]; assert_eq!(valence(&bonds), 5); } #[test] fn double_up() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Double) }, Bond { tid: 0, style: Some(Style::Up) } ]; assert_eq!(valence(&bonds), 3); } #[test] fn double_down() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Double) }, Bond { tid: 0, style: Some(Style::Down) } ]; assert_eq!(valence(&bonds), 3); } #[test] fn single_aromatic() { let bonds = vec![ Bond { tid: 0, style: Some(Style::Single) }, Bond { tid: 0, style: Some(Style::Aromatic) } ]; assert_eq!(valence(&bonds), 2); } }