Commit b7d8aded authored by NOEL Philippe's avatar NOEL Philippe

Add water and Unknown in ChainType

parent 5627e5f6
...@@ -16,4 +16,4 @@ pub use self::pdb::write_pdb::write_pdb; ...@@ -16,4 +16,4 @@ pub use self::pdb::write_pdb::write_pdb;
pub use self::pdb::atom::*; pub use self::pdb::atom::*;
pub use self::pdb::chain::Chain; pub use self::pdb::chain::Chain;
pub use self::pdb::residue::Residue; pub use self::pdb::residue::Residue;
pub use self::pdb::structure::Structure; pub use self::pdb::structure::Structure;
\ No newline at end of file
...@@ -99,7 +99,8 @@ impl Atom { ...@@ -99,7 +99,8 @@ impl Atom {
/// "CYT" => AtomTypes::NucleicAcid /// "CYT" => AtomTypes::NucleicAcid
/// "TIP3W" => AtomTypes::Wat /// "TIP3W" => AtomTypes::Wat
/// "POPC" => AtomTypes::Lipid /// "POPC" => AtomTypes::Lipid
/// "POPE" => AtomTypes::Lipid /// "POPE" => AtomTypes::Lipid
/// "HOH" => AtomTypes::Water
/// ///
#[derive(PartialEq, Debug, Copy, Clone)] #[derive(PartialEq, Debug, Copy, Clone)]
pub enum AtomTypes { pub enum AtomTypes {
...@@ -158,6 +159,7 @@ lazy_static! { ...@@ -158,6 +159,7 @@ lazy_static! {
("TIP3W", AtomTypes::Water), ("TIP3W", AtomTypes::Water),
("POPC", AtomTypes::Lipid), ("POPC", AtomTypes::Lipid),
("POPE", AtomTypes::Lipid), ("POPE", AtomTypes::Lipid),
("HOH", AtomTypes::Water),
] ]
.iter() .iter()
.cloned() .cloned()
......
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