void
OPCollEnergyChange::A2ParticleChange(const PairEventData& PDat)
{
data[PDat.particle1_.getSpecies().getID()]
.addVal(PDat.particle1_.getDeltaKE());
data[PDat.particle2_.getSpecies().getID()]
.addVal(PDat.particle2_.getDeltaKE());
double p1Mass = PDat.particle1_.getSpecies().getMass(PDat.particle1_.getParticle().getID());
double p2Mass = PDat.particle2_.getSpecies().getMass(PDat.particle2_.getParticle().getID());
double mu = p1Mass * p2Mass / (p1Mass + p2Mass);
specialhist.addVal((PDat.dP.nrm2() / (2.0 * mu)) - (PDat.vijold | PDat.dP));
collisionKE[mapkey(PDat.particle1_.getSpecies().getID(),
PDat.particle2_.getSpecies().getID(),
PDat.getType())]
.addVal(Sim->dynamics.getLiouvillean().getParticleKineticEnergy(PDat.particle1_.getParticle())
-PDat.particle1_.getDeltaKE());
collisionKE[mapkey(PDat.particle2_.getSpecies().getID(),
PDat.particle1_.getSpecies().getID(),
PDat.getType())]
.addVal(Sim->dynamics.getLiouvillean().getParticleKineticEnergy(PDat.particle2_.getParticle())
-PDat.particle2_.getDeltaKE());
}
PairEventData
IThinThread::runEvent(Particle& p1, Particle& p2, Event iEvent)
{
++Sim->eventCount;
const double d = _diameter->getProperty(p1, p2);
const double d2 = d * d;
const double e = _e->getProperty(p1, p2);
const double l = _lambda->getProperty(p1, p2);
const double ld2 = d * l * d * l;
const double wd = _wellDepth->getProperty(p1, p2);
switch (iEvent._type)
{
case CORE:
{
PairEventData retVal = Sim->dynamics->SmoothSpheresColl(iEvent, e, d2, CORE);
if (!isCaptured(p1, p2))
{
retVal.setType(STEP_IN);
ICapture::add(p1, p2);
}
return retVal;
}
case STEP_OUT:
{
PairEventData retVal = Sim->dynamics->SphereWellEvent(iEvent, -wd, ld2, 0);
if (retVal.getType() != BOUNCE) ICapture::remove(p1, p2);
return retVal;
}
default:
M_throw() << "Unknown collision type";
}
}
void
IStepped::runEvent(Particle& p1, Particle& p2, const IntEvent& iEvent)
{
++Sim->eventCount;
const double length_scale = 0.5 * (_lengthScale->getProperty(p1.getID()) + _lengthScale->getProperty(p2.getID()));
const double energy_scale = 0.5 * (_energyScale->getProperty(p1.getID()) + _energyScale->getProperty(p2.getID()));
ICapture::const_iterator capstat = ICapture::find(ICapture::key_type(p1, p2));
const size_t old_step_ID = (capstat == ICapture::end()) ? 0 : capstat->second;
const std::pair<double, double> step_bounds = _potential->getStepBounds(old_step_ID);
size_t new_step_ID;
size_t edge_ID;
double diameter;
switch (iEvent.getType())
{
case STEP_OUT:
{
new_step_ID = _potential->outer_step_ID(old_step_ID);
edge_ID = _potential->outer_edge_ID(old_step_ID);
diameter = step_bounds.second * length_scale;
break;
}
case STEP_IN:
{
new_step_ID = _potential->inner_step_ID(old_step_ID);
edge_ID = _potential->inner_edge_ID(old_step_ID);
diameter = step_bounds.first * length_scale;
break;
}
default:
M_throw() << "Unknown event type";
}
PairEventData retVal = Sim->dynamics->SphereWellEvent(iEvent, _potential->getEnergyChange(new_step_ID, old_step_ID) * energy_scale, diameter * diameter, new_step_ID);
EdgeData& data = _edgedata[std::pair<size_t, EEventType>(edge_ID, retVal.getType())];
++data.counter;
data.rdotv_sum += retVal.rvdot;
//Check if the particles changed their step ID
if (retVal.getType() != BOUNCE) ICapture::operator[](ICapture::key_type(p1, p2)) = new_step_ID;
Sim->_sigParticleUpdate(retVal);
Sim->ptrScheduler->fullUpdate(p1, p2);
for (shared_ptr<OutputPlugin> & Ptr : Sim->outputPlugins)
Ptr->eventUpdate(iEvent, retVal);
}
PairEventData
ISWSequence::runEvent(Particle& p1, Particle& p2, Event iEvent)
{
++Sim->eventCount;
const double e = _e->getProperty(p1, p2);
const double d = _diameter->getProperty(p1, p2);
const double d2 = d * d;
const double l = _lambda->getProperty(p1, p2);
const double ld2 = d * l * d * l;
const double pairenergy = alphabet[sequence[p1.getID() % sequence.size()]][sequence[p2.getID() % sequence.size()]] * _unitEnergy->getMaxValue();
PairEventData retVal;
switch (iEvent._type)
{
case CORE:
{
retVal = Sim->dynamics->SmoothSpheresColl(iEvent, e, d2, CORE);
break;
}
case STEP_IN:
{
retVal = Sim->dynamics->SphereWellEvent(iEvent, pairenergy, ld2, 1);
if (retVal.getType() != BOUNCE) ICapture::add(p1, p2);
break;
}
case STEP_OUT:
{
retVal = Sim->dynamics->SphereWellEvent(iEvent, -pairenergy, ld2, 0);
if (retVal.getType() != BOUNCE) ICapture::remove(p1, p2);
break;
}
default:
M_throw() << "Unknown collision type";
}
return retVal;
}
void
IStepped::runEvent(const Particle& p1,
const Particle& p2,
const IntEvent& iEvent) const
{
++Sim->eventCount;
switch (iEvent.getType())
{
case WELL_OUT:
{
cmap_it capstat = getCMap_it(p1,p2);
double d = steps[capstat->second-1].first * _unitLength->getMaxValue();
double d2 = d * d;
double dE = steps[capstat->second-1].second;
if (capstat->second > 1)
dE -= steps[capstat->second - 2].second;
dE *= _unitEnergy->getMaxValue();
PairEventData retVal(Sim->dynamics.getLiouvillean().SphereWellEvent
(iEvent, dE, d2));
if (retVal.getType() != BOUNCE)
if (!(--capstat->second))
//capstat is zero so delete
captureMap.erase(capstat);
Sim->signalParticleUpdate(retVal);
Sim->ptrScheduler->fullUpdate(p1, p2);
BOOST_FOREACH(magnet::ClonePtr<OutputPlugin> & Ptr, Sim->outputPlugins)
Ptr->eventUpdate(iEvent, retVal);
break;
}
case WELL_IN:
{
cmap_it capstat = getCMap_it(p1, p2);
if (capstat == captureMap.end())
capstat = captureMap.insert
(captureMapType::value_type
((p1.getID() < p2.getID())
? cMapKey(p1.getID(), p2.getID())
: cMapKey(p2.getID(), p1.getID()),
0)).first;
double d = steps[capstat->second].first * _unitLength->getMaxValue();
double d2 = d * d;
double dE = steps[capstat->second].second;
if (capstat->second > 0)
dE -= steps[capstat->second - 1].second;
dE *= _unitEnergy->getMaxValue();
PairEventData retVal = Sim->dynamics.getLiouvillean().SphereWellEvent(iEvent, -dE, d2);
if (retVal.getType() != BOUNCE)
++(capstat->second);
else if (!capstat->second)
captureMap.erase(capstat);
Sim->signalParticleUpdate(retVal);
Sim->ptrScheduler->fullUpdate(p1, p2);
BOOST_FOREACH(magnet::ClonePtr<OutputPlugin> & Ptr, Sim->outputPlugins)
Ptr->eventUpdate(iEvent, retVal);
break;
}
default:
M_throw() << "Unknown collision type";
}
}
