Declarative style for particle update comm

[fweik]

and reduce duplication.

[codecov]

Codecov Report

Merging #2407 into python will decrease coverage by <1%.
The diff coverage is 91%.

@@           Coverage Diff           @@
##           python   #2407    +/-   ##
=======================================
- Coverage      72%     72%    -1%     
=======================================
  Files         485     484     -1     
  Lines       29926   29509   -417     
=======================================
- Hits        21682   21295   -387     
+ Misses       8244    8214    -30

Impacted Files	Coverage Δ
src/core/reaction_ensemble.hpp	68% <ø> (ø)	⬆️
src/core/communication.hpp	100% <ø> (ø)	⬆️
src/core/unit_tests/Vector_test.cpp	100% <100%> (ø)	⬆️
src/core/utils/Span.hpp	100% <100%> (ø)	⬆️
src/core/virtual_sites/VirtualSitesRelative.cpp	82% <100%> (ø)	⬆️
src/core/communication.cpp	66% <100%> (-14%)	⬇️
src/core/reaction_ensemble.cpp	81% <100%> (-1%)	⬇️
src/core/unit_tests/Span_test.cpp	100% <100%> (ø)	⬆️
src/core/utils/Vector.hpp	100% <100%> (ø)	⬆️
src/core/virtual_sites.cpp	83% <100%> (+2%)	⬆️
... and 8 more

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[fweik]

@KaiSzuttor the AMD issue is unrelated.

[mkuron]

AMD fixed in #2412.

[RudolfWeeber]

Looks good. A few doc comments would be helpful, though.

diff --git a/src/core/particle_data.cpp b/src/core/particle_data.cpp
+template <typename S, S Particle::*s, typename T, T S::*m>
+struct UpdateParticle {
+  int id;
+  T value;
+
+  void operator()(Particle &p) const { (p.*s).*m = value; }
+
+  template <class Archive> void serialize(Archive &ar, long int) {
+    ar &id;
+    ar &value;
+  }
+};

+
+template <typename T, T ParticleProperties::*m>
+using UpdateProperty = UpdateParticle<ParticleProperties, &Particle::p, T, m>;
+template <typename T, T ParticlePosition ::*m>
+using UpdatePosition = UpdateParticle<ParticlePosition, &Particle::r, T, m>;
+template <typename T, T ParticleMomentum ::*m>
+using UpdateMomentum = UpdateParticle<ParticleMomentum, &Particle::m, T, m>;
+template <typename T, T ParticleForce ::*m>
+using UpdateForce = UpdateParticle<ParticleForce, &Particle::f, T, m>;

Please insert some docs, also with regards to the template params

+template <typename S, S Particle::*s, typename T, T S::*m> struct message_type;

Please also insert some comments here about how the message type distinciotn works.

+

+template <typename S, S Particle::*s, typename T, T S::*m>
+using message_type_t = typename message_type<S, s, T, m>::type;
+
+struct UpdateParticleVisitor : public boost::static_visitor<void> {
+  template <typename Message> void operator()(const Message &msg) const {
+    assert(local_particles[msg.id]);
+    msg(*local_particles[msg.id]);
+  }
+};

Please mention here via what mechanism the actual update gets called since not all readers of this might be familiar with the pattern.

[KaiSzuttor]

collision detection seems to have issues

[fweik]

Yeah, I called the master instead of the local interface...

[KaiSzuttor]

please merge the current python branch

[fweik]

@KaiSzuttor

[fweik]

@KaiSzuttor I removed the unused return values and cleaned up a bit.