More warning fixes

examples/mc_npt_argon.rs

@@ -4,7 +4,6 @@
 //! Testing physical properties of a Lennard-Jones Argon using Monte Carlo
 //! simulation.
 extern crate lumol;
-extern crate lumol_input as input;
 
 use lumol::sys::{System, TrajectoryBuilder, UnitCell};
 use lumol::energy::{LennardJones, PairInteraction};

examples/mc_npt_ethane.rs

@@ -1,7 +1,6 @@
 // Lumol, an extensible molecular simulation engine
 // Copyright (C) Lumol's contributors — BSD license
 extern crate lumol;
-extern crate lumol_input as input;
 
 use lumol::sys::{UnitCell, System, TrajectoryBuilder};
 use lumol::units;
@@ -91,7 +90,7 @@ fn main() {
     // (See frequencies of moves:
     // nmols/2 translations + nmols/2 rotations + 2 resize moves)
     let moves_per_cycle = 10;
-    let cycles = 100000;
+    let cycles = 100_000;
 
     // Some output and start of the simulation.
     println!("Simuation of 100 ethane molecules.");

examples/mc_npt_spce.rs

@@ -1,7 +1,6 @@
 // Lumol, an extensible molecular simulation engine
 // Copyright (C) Lumol's contributors — BSD license
 extern crate lumol;
-extern crate lumol_input as input;
 
 use lumol::sys::{UnitCell, System, TrajectoryBuilder};
 use lumol::units;
@@ -102,14 +101,14 @@ fn main() {
     simulation.add_output_with_frequency(
         Box::new(EnergyOutput::new("npt_spce_ener.dat").unwrap()), 500);
     simulation.add_output_with_frequency(
-        Box::new(TrajectoryOutput::new("npt_spce_conf.xyz").unwrap()), 10000);
+        Box::new(TrajectoryOutput::new("npt_spce_conf.xyz").unwrap()), 10_000);
 
     // Often, a simulation is described using `MC cycles`.
     // We define a `cycle` to contain `nmols+2` moves.
     // (See frequencies of moves:
     // nmols/2 translations + nmols/2 rotations + 2 resize moves)
     let moves_per_cycle = 92;
-    let cycles = 10000;
+    let cycles = 10_000;
 
     // Some output and start of the simulation.
     println!("Simuation of 90 spce molecules.");

examples/xenon.rs

@@ -36,5 +36,5 @@ fn main() {
     let trajectory_out = Box::new(TrajectoryOutput::new("trajectory.xyz").unwrap());
     simulation.add_output_with_frequency(trajectory_out, 50);
 
-    simulation.run(&mut system, 20000);
+    simulation.run(&mut system, 20_000);
 }

src/bin/lumol.rs

@@ -1,7 +1,5 @@
 // Lumol, an extensible molecular simulation engine
 // Copyright (C) Lumol's contributors — BSD license
-
-extern crate lumol;
 extern crate lumol_input;
 
 #[macro_use]
@@ -11,8 +9,6 @@ extern crate clap;
 use lumol_input::Input;
 use clap::{App, ArgMatches};
 
-use std::process::exit;
-
 fn parse_args<'a>() -> ArgMatches<'a> {
     App::new("lumol")
         .version(env!("CARGO_PKG_VERSION"))
@@ -28,7 +24,7 @@ fn main() {
         Ok(config) => config,
         Err(err) => {
             error!("bad input file: {}", err);
-            exit(2);
+            std::process::exit(2)
         }
     };
 

src/core/src/energy/global/wolf.rs

@@ -206,7 +206,7 @@ impl GlobalPotential for Wolf {
         let thread_forces_store = ThreadLocalStore::new(|| vec![Vector3D::zero(); natoms]);
 
         (0..natoms).into_par_iter().for_each(|i| {
-            /// Get the thread local forces Vec
+            // Get the thread local forces Vec
             let mut thread_forces = thread_forces_store.borrow_mut();
 
             let qi = configuration.particle(i).charge;

src/core/src/lib.rs

@@ -31,7 +31,7 @@
     cast_possible_wrap, float_cmp, or_fun_call, string_add, non_ascii_literal,
     doc_markdown, missing_docs_in_private_items, module_inception, stutter,
     unseparated_literal_suffix, new_without_default, new_without_default_derive,
-    zero_ptr,
+    zero_ptr, use_self, borrowed_box
 )]
 
 #[macro_use]

src/core/src/sim/simulations.rs

@@ -84,7 +84,7 @@ impl Simulation {
                 output.write(system);
             }
 
-            if i % 10000 == 0 {
+            if i % 10_000 == 0 {
                 self.sanity_check(system);
             }
         }

src/core/src/sys/config/molecules.rs

@@ -116,7 +116,7 @@ impl Molecule {
                     // We will not find any dihedral angle from these bonds
                     continue;
                 };
-                self.angles.insert(angle);
+                let _ = self.angles.insert(angle);
 
                 // Find dihedral angles
                 for bond3 in &self.bonds {
@@ -137,7 +137,7 @@ impl Molecule {
                         // improper dihedral.
                         continue;
                     };
-                    self.dihedrals.insert(dihedral);
+                    let _ = self.dihedrals.insert(dihedral);
                 }
             }
         }
@@ -180,17 +180,17 @@ impl Molecule {
         assert_eq!(self.range.end, other.range.start);
         self.range.end = other.range.end;
         for bond in other.bonds() {
-            self.bonds.insert(*bond);
+            let _ = self.bonds.insert(*bond);
         }
 
         // Get angles and dihedrals from the other molecule, there is no need to
         // rebuild these.
         for angle in other.angles() {
-            self.angles.insert(*angle);
+            let _ = self.angles.insert(*angle);
         }
 
         for dihedral in other.dihedrals() {
-            self.dihedrals.insert(*dihedral);
+            let _ = self.dihedrals.insert(*dihedral);
         }
 
         self.rebuild_connections();
@@ -212,7 +212,7 @@ impl Molecule {
 
         let mut new_bonds = HashSet::new();
         for bond in &self.bonds {
-            new_bonds.insert(Bond::new(
+            let _ = new_bonds.insert(Bond::new(
                 bond.i().wrapping_add(delta),
                 bond.j().wrapping_add(delta)
             ));
@@ -221,7 +221,7 @@ impl Molecule {
 
         let mut new_angles = HashSet::new();
         for angle in &self.angles {
-            new_angles.insert(Angle::new(
+            let _ = new_angles.insert(Angle::new(
                 angle.i().wrapping_add(delta),
                 angle.j().wrapping_add(delta),
                 angle.k().wrapping_add(delta)
@@ -231,7 +231,7 @@ impl Molecule {
 
         let mut new_dihedrals = HashSet::new();
         for dihedral in &self.dihedrals {
-            new_dihedrals.insert(Dihedral::new(
+            let _ = new_dihedrals.insert(Dihedral::new(
                 dihedral.i().wrapping_add(delta),
                 dihedral.j().wrapping_add(delta),
                 dihedral.k().wrapping_add(delta),
@@ -247,7 +247,7 @@ impl Molecule {
         assert!(self.contains(i));
         assert!(self.contains(j));
         assert_ne!(i, j);
-        self.bonds.insert(Bond::new(i, j));
+        let _ = self.bonds.insert(Bond::new(i, j));
         self.rebuild();
     }
 
@@ -271,7 +271,7 @@ impl Molecule {
                 bond_j -= 1;
             }
 
-            new_bonds.insert(Bond::new(bond_i, bond_j));
+            let _ = new_bonds.insert(Bond::new(bond_i, bond_j));
         }
 
         self.bonds = new_bonds;

src/input/src/lib.rs

@@ -58,7 +58,7 @@
     cast_possible_truncation, cast_precision_loss, cast_sign_loss,
     cast_possible_wrap, float_cmp, or_fun_call, string_add, non_ascii_literal,
     doc_markdown, missing_docs_in_private_items, module_inception, stutter,
-    unseparated_literal_suffix, new_without_default_derive
+    unseparated_literal_suffix, new_without_default_derive, use_self
 )]
 
 extern crate lumol;

tests/mc-water.rs

@@ -1,6 +1,5 @@
 // Lumol, an extensible molecular simulation engine
 // Copyright (C) Lumol's contributors — BSD license
-extern crate lumol;
 extern crate lumol_input as input;
 extern crate env_logger;
 

tests/md-butane.rs

@@ -2,7 +2,6 @@
 // Copyright (C) Lumol's contributors — BSD license
 
 //! Testing molecular dynamics of butane
-extern crate lumol;
 extern crate lumol_input as input;
 extern crate env_logger;
 

tests/md-methane.rs

@@ -2,7 +2,6 @@
 // Copyright (C) Lumol's contributors — BSD license
 
 //! Testing molecular dynamics of methane
-extern crate lumol;
 extern crate lumol_input as input;
 extern crate env_logger;
 

tests/md-water.rs

@@ -2,7 +2,6 @@
 // Copyright (C) Lumol's contributors — BSD license
 
 //! Testing physical properties of f-SPC water
-extern crate lumol;
 extern crate lumol_input as input;
 extern crate env_logger;
 

tests/nist-spce.rs

@@ -4,9 +4,7 @@
 //! Testing energy computation for SPC/E water using data from
 //! https://www.nist.gov/mml/csd/chemical-informatics-research-group/spce-water-reference-calculations-9%C3%A5-cutoff
 //! https://www.nist.gov/mml/csd/chemical-informatics-research-group/spce-water-reference-calculations-10å-cutoff
-
 extern crate lumol;
-extern crate lumol_input as input;
 
 use lumol::sys::{System, UnitCell};
 use lumol::sys::TrajectoryBuilder;