Changeset a0d8aa for src/Potentials/Specifics/PairPotential_LennardJones.cpp

Timestamp:

Aug 30, 2025, 2:41:40 PM (8 weeks ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

a4b917

Parents:

e83114

git-author:

Frederik Heber <frederik.heber@…> (08/17/25 20:24:43)

git-committer:

Frederik Heber <frederik.heber@…> (08/30/25 14:41:40)

Message:

PotentialFactory exposes particle type numbers.

• Also, potentials use getParticleTypeNumber() in asserts.

File:

• src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) (1 diff)

src/Potentials/Specifics/PairPotential_LennardJones.cpp

@@ -67 +67 @@
 Coordinator::ptr PairPotential_LennardJones::coordinator( /* Memory::ignore( */ new TwoBody_Length() /* ) */ );
 
-static BindingModel generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes)
+BindingModel PairPotential_LennardJones::generateBindingModel(const EmpiricalPotential::ParticleTypes_t &_ParticleTypes) const
 {
   // fill nodes
   BindingModel::vector_nodes_t nodes;
   {
-    ASSERT( _ParticleTypes.size() == (size_t)2,
+    ASSERT( _ParticleTypes.size() == (size_t)getParticleTypeNumber(),
         "generateBindingModel() - PairPotential_LennardJones needs two types.");
     nodes.push_back( FragmentNode(_ParticleTypes[0], 1) );