Merge pull request #1365 from Xav83/master

Corrects clang-tidy warnings from atomutilities cpp file
OpenChemistry · Oct 10, 2023 · 7f27522 · 7f27522
2 parents a0f41dc + 7552ce2
commit 7f27522
Showing 1 changed file with 9 additions and 9 deletions.
diff --git a/avogadro/core/atomutilities.cpp b/avogadro/core/atomutilities.cpp
@@ -9,11 +9,11 @@
 #include <cmath>
 #include <vector>
 
-#define M_TETRAHED 109.47122063449069389
+constexpr double M_TETRAHED = 109.47122063449069389;
 
 namespace Avogadro::Core {
 
-typedef Array<Bond> NeighborListType;
+using NeighborListType = Array<Bond>;
 
 inline unsigned int countExistingBonds(const NeighborListType& bonds)
 {
@@ -67,15 +67,15 @@ Vector3 AtomUtilities::generateNewBondVector(
 {
   Vector3 newPos;
   bool success = false;
-  int currentValence = allVectors.size();
+  int currentValence = static_cast<int>(allVectors.size());
 
   // No bonded atoms, just pick a random vector
   if (currentValence == 0) {
     newPos = Vector3::Random().normalized();
     return newPos;
   } else if (currentValence == 1) {
     // One bonded atom
-    Vector3 bond1 = allVectors[0];
+    const Vector3& bond1 = allVectors[0];
 
     // Check what's attached to our neighbor -- we want to set trans to the
     // neighbor
@@ -147,8 +147,8 @@ Vector3 AtomUtilities::generateNewBondVector(
     return -1.0 * newPos.normalized();
   } // end one bond
   else if (currentValence == 2) {
-    Vector3 bond1 = allVectors[0];
-    Vector3 bond2 = allVectors[1];
+    const Vector3& bond1 = allVectors[0];
+    const Vector3& bond2 = allVectors[1];
 
     Vector3 v1 = bond1 + bond2;
     v1.normalize();
@@ -170,9 +170,9 @@ Vector3 AtomUtilities::generateNewBondVector(
     return -1.0 * newPos.normalized();
   } // end two bonds
   else if (currentValence == 3) {
-    Vector3 bond1 = allVectors[0];
-    Vector3 bond2 = allVectors[1];
-    Vector3 bond3 = allVectors[2];
+    const Vector3& bond1 = allVectors[0];
+    const Vector3& bond2 = allVectors[1];
+    const Vector3& bond3 = allVectors[2];
 
     // need to handle different hybridizations here