diff --git a/src/structure.rs b/src/structure.rs index d10e321..f879aa2 100644 --- a/src/structure.rs +++ b/src/structure.rs @@ -43,11 +43,6 @@ impl<'a> Finder<'a> { /// /// This method initializes the `Finder` struct by extracting the chain and residue information from the provided `PDB` reference. It constructs two hashmaps: `chain_lookup` (for mapping atom serial numbers to chain IDs) and `residue_lookup` (for mapping atom serial numbers to residue serial numbers). /// - /// # Parameters - /// - `pdb`: A reference to a `PDB` object that contains the protein structure data. - /// - /// # Returns - /// A new instance of `Finder` initialized with the provided `PDB`. fn new(pdb: &'a PDB) -> Self { let chain_lookup = pdb .chains() @@ -85,14 +80,6 @@ impl<'a> Finder<'a> { /// /// This method looks up the chain ID for an atom based on its serial number. If no chain is found, the default value "A" is returned. /// - /// # Parameters - /// - `atom`: A reference to an `Atom` whose chain ID is to be found. - /// - /// # Returns - /// A `String` representing the chain ID associated with the atom. - /// - /// # Panics - /// This method will panic if the atom's serial number is not found in the `chain_lookup` map (should not happen under normal circumstances). fn find_chain_id(&self, atom: &Atom) -> String { self.chain_lookup .get(&atom.serial_number()) @@ -104,14 +91,6 @@ impl<'a> Finder<'a> { /// /// This method looks up the residue serial number for an atom based on its serial number. If no residue number is found, the default value `0` is returned. /// - /// # Parameters - /// - `atom`: A reference to an `Atom` whose residue serial number is to be found. - /// - /// # Returns - /// An `isize` representing the residue serial number associated with the atom. - /// - /// # Panics - /// This method will panic if the atom's serial number is not found in the `residue_lookup` map (should not happen under normal circumstances). fn find_residue_number(&self, atom: &Atom) -> isize { *self.residue_lookup.get(&atom.serial_number()).unwrap_or(&0) }