Cargo clippy

Author: mlund

examples/lookup.rs

@@ -8,7 +8,7 @@ fn main() {
     let indices = icosphere.get_all_indices();
     let vertices = icosphere.raw_points();
 
-    println!("Indices: {:?}", indices);
+    println!("Indices: {indices:?}");
 
     println!("\nVertices:");
     for (i, vertex) in vertices.iter().enumerate() {
@@ -33,7 +33,7 @@ fn main() {
     let mut ab = AdjacencyBuilder::new(vertices.len());
     ab.add_indices(&indices);
     let adjency = ab.finish();
-    println!("\nVertex neighborlist:\n(The result preserves winding: the resulting array is wound around the center vertex in the same way that the source triangles were wound.):\n {:?}", adjency);
+    println!("\nVertex neighborlist:\n(The result preserves winding: the resulting array is wound around the center vertex in the same way that the source triangles were wound.):\n {adjency:?}");
 
     let face_area = |a: usize, b: usize, c: usize| {
         let a = vertices[a];
@@ -68,5 +68,5 @@ fn main() {
         writeln!(weight_file, "{weight}").expect("Failed to write to file");
     }
 
-    println!("\nVertex weights:\n {:?}", weights);
+    println!("\nVertex weights:\n {weights:?}");
 }

src/energy.rs

@@ -61,11 +61,7 @@ impl PairMatrix {
 
                 if use_polarization {
                     log::debug!(
-                        "Adding ion-induced dipole term for atom pair ({}, {}). Alphas: {}, {}",
-                        i,
-                        j,
-                        alpha1,
-                        alpha2
+                        "Adding ion-induced dipole term for atom pair ({i}, {j}). Alphas: {alpha1}, {alpha2}"
                     );
                 }
                 let coulomb =
@@ -99,7 +95,7 @@ impl PairMatrix {
                 energy += potentials[(a, b)].isotropic_twobody_energy(distance_sq);
             }
         }
-        trace!("molecule-molecule energy: {:.2} kJ/mol", energy);
+        trace!("molecule-molecule energy: {energy:.2} kJ/mol");
         energy
     }
 }

src/icoscan.rs

@@ -146,7 +146,7 @@ pub fn do_icoscan(
                 .map(|&p| [p.x as f32, p.y as f32, p.z as f32])
                 .collect();
             traj.write(&frame).expect("Failed to write XTC frame");
-            writeln!(energy_file, "{:.6}", data).expect("Failed to write energy to file");
+            writeln!(energy_file, "{data:.6}").expect("Failed to write energy to file");
         };
 
         r_and_omega
@@ -163,7 +163,7 @@ pub fn do_icoscan(
                         write_frame(&oriented_a, &oriented_b, _data_b.get().unwrap());
                     });
             });
-        info!("Wrote {} frames to trajectory file", frame_cnt);
+        info!("Wrote {frame_cnt} frames to trajectory file");
     }
 
     // Partition function contribution for single (r, omega) point

src/icotable.rs

@@ -409,7 +409,7 @@ impl Table6D {
 
         // We have a new angular resolution, depending on number of subdivisions
         let angle_resolution = table_b.angle_resolution();
-        log::info!("Actual angle resolution = {:.2} radians", angle_resolution);
+        log::info!("Actual angle resolution = {angle_resolution:.2} radians");
 
         let table_a = IcoTable4D::from_vertices(vertices, Some(table_b)); // A: 𝜃 and 𝜑
         let table_omega = PaddedTable::<IcoTable4D>::new(0.0, 2.0 * PI, angle_resolution, table_a); // 𝜔
@@ -459,14 +459,14 @@ pub(crate) fn vmd_draw(
     scale: Option<f32>,
 ) -> Result<()> {
     let num_faces = icosphere.get_all_indices().len() / 3;
-    let path = path.with_extension(format!("faces{}.vmd", num_faces));
+    let path = path.with_extension(format!("faces{num_faces}.vmd"));
     let mut stream = std::fs::File::create(path)?;
     icosphere.get_all_indices().chunks(3).try_for_each(|c| {
         let scale = scale.unwrap_or(1.0);
         let a = icosphere.raw_points()[c[0] as usize] * scale;
         let b = icosphere.raw_points()[c[1] as usize] * scale;
         let c = icosphere.raw_points()[c[2] as usize] * scale;
-        writeln!(stream, "draw color {}", color)?;
+        writeln!(stream, "draw color {color}")?;
         writeln!(
             stream,
             "draw triangle {{{:.3} {:.3} {:.3}}} {{{:.3} {:.3} {:.3}}} {{{:.3} {:.3} {:.3}}}",

src/main.rs

@@ -187,7 +187,7 @@ fn do_scan(cmd: &Commands) -> Result<()> {
             .to_xyz(&mut File::create("confout.xyz")?, topology.atomkinds())?;
     }
 
-    info!("{}", medium);
+    info!("{medium}");
     info!(
         "Molecular net-charges:    [{:.2}e, {:.2}e]",
         ref_a.net_charge(),
@@ -208,8 +208,7 @@ fn do_scan(cmd: &Commands) -> Result<()> {
     );
 
     info!(
-        "COM range: [{:.1}, {:.1}) in {:.1} Å steps 🐾",
-        rmin, rmax, dr
+        "COM range: [{rmin:.1}, {rmax:.1}) in {dr:.1} Å steps 🐾"
     );
     icoscan::do_icoscan(
         *rmin,
@@ -352,7 +351,7 @@ fn do_potential(cmd: &Commands) -> Result<()> {
         energy::electric_potential(&structure, &v.scale(*radius), &multipole)
     })?;
 
-    File::create("pot_at_vertices.dat")?.write_fmt(format_args!("{}", icotable))?;
+    File::create("pot_at_vertices.dat")?.write_fmt(format_args!("{icotable}"))?;
 
     // Make PQR file illustrating the electric potential at each vertex
     let mut pqr_file = File::create("potential.pqr")?;
@@ -374,21 +373,15 @@ fn do_potential(cmd: &Commands) -> Result<()> {
             let abs_err = (interpolated - exact).abs();
             if abs_err > 0.05 {
                 log::debug!(
-                    "Potential at theta={:.3} phi={:.3} is {:.4} (exact: {:.4}) abs. error {:.4}",
-                    theta,
-                    phi,
-                    interpolated,
-                    exact,
-                    abs_err
+                    "Potential at theta={theta:.3} phi={phi:.3} is {interpolated:.4} (exact: {exact:.4}) abs. error {abs_err:.4}"
                 );
                 let face = icotable.nearest_face(&point);
                 let bary = icotable.naive_barycentric(&point, &face);
-                log::debug!("Face: {:?} Barycentric: {:?}\n", face, bary);
+                log::debug!("Face: {face:?} Barycentric: {bary:?}\n");
             }
             writeln!(
                 pot_angles_file,
-                "{:.3} {:.3} {:.4} {:.4} {:.4}",
-                theta, phi, interpolated, exact, rel_err
+                "{theta:.3} {phi:.3} {interpolated:.4} {exact:.4} {rel_err:.4}"
             )?;
         }
     }

src/structure.rs

@@ -53,7 +53,7 @@ impl Structure {
                 atomkinds
                     .find_name(name)
                     .map(|kind| kind.id())
-                    .context(format!("Unknown atom name in structure file: {:?}", name))
+                    .context(format!("Unknown atom name in structure file: {name:?}"))
             })
             .try_collect()?;
 
@@ -63,7 +63,7 @@ impl Structure {
                 atomkinds
                     .find_name(name)
                     .map(|kind| kind.mass())
-                    .context(format!("Unknown atom name in XYZ file: {}", name))
+                    .context(format!("Unknown atom name in XYZ file: {name}"))
             })
             .try_collect()?;
 
@@ -73,7 +73,7 @@ impl Structure {
                 atomkinds
                     .find_name(name)
                     .map(|i| i.charge())
-                    .context(format!("Unknown atom name in XYZ file: {}", name))
+                    .context(format!("Unknown atom name in XYZ file: {name}"))
             })
             .try_collect()?;
 
@@ -83,7 +83,7 @@ impl Structure {
                 atomkinds
                     .find_name(name)
                     .map(|i| i.sigma().unwrap_or(0.0) * 0.5)
-                    .context(format!("Unknown atom name in XYZ file: {}", name))
+                    .context(format!("Unknown atom name in XYZ file: {name}"))
             })
             .try_collect()?;
         let mut structure = Self {