Merge pull request #2 from rvhonorato/pdbtbx-version

Update `pdbtbx` version

Cargo.toml

@@ -7,12 +7,12 @@ readme = "README.md"
 repository = "https://github.com/maxall41/RustSASA"
 license = "MIT"
 license-file = "LICENSE"
-keywords = ["Rust","Bioinformatics","SASA"]
+keywords = ["Rust", "Bioinformatics", "SASA"]
 documentation = "https://docs.rs/rust-sasa/latest/rust_sasa/"
 # See more keys and their definitions at https://doc.rust-lang.org/cargo/reference/manifest.html
 
 [dependencies]
-pdbtbx = "0.11.0"
+pdbtbx = "0.12.0"
 rstar = "0.12.0"
 nalgebra = "0.33.0"
 rayon = "1.10.0"

src/lib.rs

@@ -164,7 +164,6 @@ fn is_accessible_rstar(
 /// use rust_sasa::{Atom, calculate_sasa_internal};
 /// let (mut pdb, _errors) = pdbtbx::open(
 ///             "./example.cif",
-///             StrictnessLevel::Medium
 ///         ).unwrap();
 /// let mut atoms = vec![];
 /// for atom in pdb.atoms() {
@@ -231,7 +230,6 @@ pub fn calculate_sasa_internal(
 /// use rust_sasa::{Atom, calculate_sasa, calculate_sasa_internal, SASALevel};
 /// let (mut pdb, _errors) = pdbtbx::open(
 ///             "./example.cif",
-///             StrictnessLevel::Medium
 /// ).unwrap();
 /// let result = calculate_sasa(&pdb,None,None,SASALevel::Residue);
 /// ```

src/test.rs

@@ -248,7 +248,7 @@ mod tests {
 
     #[test]
     fn internal_test() {
-        let (mut pdb, _errors) = pdbtbx::open("./example.cif", StrictnessLevel::Medium).unwrap();
+        let (mut pdb, _errors) = pdbtbx::open("./example.cif").unwrap();
         let mut atoms = vec![];
         for atom in pdb.atoms() {
             atoms.push(Atom {
@@ -275,7 +275,7 @@ mod tests {
     }
     #[test]
     fn external_test() {
-        let (mut pdb, _errors) = pdbtbx::open("./example.cif", StrictnessLevel::Medium).unwrap();
+        let (mut pdb, _errors) = pdbtbx::open("./example.cif").unwrap();
         let protein_sasa = calculate_sasa(&pdb, None, None, SASALevel::Protein).unwrap();
         let chain_sasa = calculate_sasa(&pdb, None, None, SASALevel::Chain).unwrap();