void
ISoftCore::checkOverlaps(const Particle& part1, const Particle& part2) const
{
Vector rij = part1.getPosition() - part2.getPosition();
Sim->dynamics.BCs().applyBC(rij);
double r2 = rij.nrm2();
double d2 = (_diameter->getProperty(part1.getID())
+ _diameter->getProperty(part2.getID())) * 0.5;
d2 *= d2;
if (isCaptured(part1, part2))
{
if (r2 > d2)
derr << "Possible escaped captured pair in diagnostics\n ID1=" << part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\nd^2="
<< d2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
}
else
if (r2 < d2)
derr << "Possible missed captured pair in diagnostics\n ID1=" << part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\nd^2="
<< d2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
}
double
ISquareWell::getInternalEnergy(const Particle& p1, const Particle& p2) const
{
return - 0.5 * (_wellDepth->getProperty(p1.getID())
+_wellDepth->getProperty(p2.getID()))
* isCaptured(p1, p2);
}
Event
IDSMC::getEvent(const Particle &p1, const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics->isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics->isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
const double l = _length->getProperty(p1, p2);
if (isCaptured(p1, p2))
{
double dt = Sim->dynamics->SphereSphereOutRoot(p1, p2, l);
return Event(p1, dt, INTERACTION, NBHOOD_OUT, ID, p2);
}
else
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, l);
if (dt != std::numeric_limits<float>::infinity())
return Event(p1, dt, INTERACTION, NBHOOD_IN, ID, p2);
}
return Event(p1, std::numeric_limits<float>::infinity(), INTERACTION, NONE, ID, p2);
}
double
ISWSequence::getInternalEnergy(const Particle& p1, const Particle& p2) const
{
return -alphabet[sequence[p1.getID() % sequence.size()]][sequence[p2.getID() % sequence.size()]]
* 0.5 * (_unitEnergy->getProperty(p1.getID()) + _unitEnergy->getProperty(p2.getID()))
* isCaptured(p1, p2);
}
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";
}
}
bool
ILines::validateState(const Particle& p1, const Particle& p2, bool textoutput) const
{
double l = (_length->getProperty(p1.getID())
+ _length->getProperty(p2.getID())) * 0.5;
if (isCaptured(p1, p2))
{
if (!Sim->dynamics->sphereOverlap(p1, p2, l))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " are registered as being closer than " << l / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
}
else
if (Sim->dynamics->sphereOverlap(p1, p2, l))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " are not registered as being closer than " << l / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
return false;
}
std::string
pcl::io::depth_sense::DepthSenseDeviceManager::captureDevice (DepthSenseGrabberImpl* grabber, size_t index)
{
boost::mutex::scoped_lock lock (mutex_);
if (index >= context_.getDevices ().size ())
THROW_IO_EXCEPTION ("device with index %i is not connected", index + 1);
if (isCaptured (context_.getDevices ().at (index).getSerialNumber ()))
THROW_IO_EXCEPTION ("device with index %i is captured by another grabber", index);
return (captureDevice (grabber, context_.getDevices ().at (index)));
}
void ColorNode::toggleSelect()
{
m_flags ^= IsSelectedMask;
setFrame(
isSelected() ?
ColorNodeFrames::get()->selected_frame :
isCaptured() ?
ColorNodeFrames::get()->captured_frame :
ColorNodeFrames::get()->deselected_frame );
}
IntEvent
ISWSequence::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics->isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics->isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double l = (_lambda->getProperty(p1.getID())
+ _lambda->getProperty(p2.getID())) * 0.5;
const double pairenergy = alphabet[sequence[p1.getID() % sequence.size()]][sequence[p2.getID() % sequence.size()]] * _unitEnergy->getMaxValue();
/* Check if there is no well here at all, and just use a hard core interaction */
if (pairenergy == 0)
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, d);
if (dt != HUGE_VAL)
return IntEvent(p1, p2, dt, CORE, *this);
else
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
if (isCaptured(p1, p2))
{
IntEvent retval(p1, p2, HUGE_VAL, NONE, *this);
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, d);
if (dt != HUGE_VAL)
retval = IntEvent(p1, p2, dt, CORE, *this);
dt = Sim->dynamics->SphereSphereOutRoot(p1, p2, l * d);
if (retval.getdt() > dt)
retval = IntEvent(p1, p2, dt, STEP_OUT, *this);
return retval;
}
else
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, l * d);
if (dt != HUGE_VAL)
return IntEvent(p1, p2, dt, STEP_IN, *this);
}
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
double
IStepped::getInternalEnergy(const Particle& p1, const Particle& p2) const
{
const_cmap_it capstat = getCMap_it(p1,p2);
if (capstat == captureMap.end())
return 0;
else
return steps[capstat->second - 1].second
* 0.5 * (_unitEnergy->getProperty(p1.getID())
+ _unitEnergy->getProperty(p2.getID()))
* isCaptured(p1, p2);
}
void
ISWSequence::checkOverlaps(const Particle& part1, const Particle& part2) const
{
Vector rij = part1.getPosition() - part2.getPosition();
Sim->dynamics.BCs().applyBC(rij);
double r2 = rij.nrm2();
double d = (_diameter->getProperty(part1.getID())
+ _diameter->getProperty(part2.getID())) * 0.5;
double d2 = d * d;
double l = (_lambda->getProperty(part1.getID())
+ _lambda->getProperty(part2.getID())) * 0.5;
double ld2 = d * l * d * l;
if (isCaptured(part1, part2))
{
if (r2 < d2)
derr << "Possible captured overlap occured in diagnostics\n ID1=" << part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\nd^2="
<< d2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
if (r2 > ld2)
derr << "Possible escaped captured pair in diagnostics\n ID1=" << part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\n(lambda * d)^2="
<< ld2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
}
else
{
if (r2 < d2)
derr << "Particles overlapping cores without even being captured."
<< "\nProbably a bad initial configuration."
<< "\n ID1="
<< part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\nd^2="
<< d2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
if (r2 < ld2)
derr << "Possible missed captured pair in diagnostics\n ID1="
<< part1.getID()
<< ", ID2=" << part2.getID() << "\nR_ij^2="
<< r2 / pow(Sim->dynamics.units().unitLength(),2)
<< "\n(lambda * d)^2="
<< ld2 / pow(Sim->dynamics.units().unitLength(),2) << std::endl;
}
}
std::string
pcl::io::depth_sense::DepthSenseDeviceManager::captureDevice (DepthSenseGrabberImpl* grabber)
{
boost::mutex::scoped_lock lock (mutex_);
std::vector<DepthSense::Device> devices = context_.getDevices ();
if (devices.size () == 0)
THROW_IO_EXCEPTION ("no connected devices");
for (size_t i = 0; i < devices.size (); ++i)
if (!isCaptured (devices[i].getSerialNumber ()))
return (captureDevice (grabber, devices[i]));
THROW_IO_EXCEPTION ("all connected devices are captured by other grabbers");
return (""); // never reached, needed just to silence -Wreturn-type warning
}
void
IThinThread::runEvent(Particle& p1, Particle& p2, const IntEvent& iEvent)
{
++Sim->eventCount;
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double d2 = d * d;
double e = (_e->getProperty(p1.getID())
+ _e->getProperty(p2.getID())) * 0.5;
double l = (_lambda->getProperty(p1.getID())
+ _lambda->getProperty(p2.getID())) * 0.5;
double ld2 = d * l * d * l;
double wd = (_wellDepth->getProperty(p1.getID())
+ _wellDepth->getProperty(p2.getID())) * 0.5;
switch (iEvent.getType())
{
case CORE:
{
PairEventData retVal(Sim->dynamics->SmoothSpheresColl(iEvent, e, d2, CORE));
IntEvent event(iEvent);
if (!isCaptured(p1, p2))
{
event.setType(STEP_IN);
retVal.setType(STEP_IN);
ICapture::add(p1, p2);
}
(*Sim->_sigParticleUpdate)(retVal);
Sim->ptrScheduler->fullUpdate(p1, p2);
for (shared_ptr<OutputPlugin> & Ptr : Sim->outputPlugins)
Ptr->eventUpdate(event, retVal);
break;
}
case STEP_OUT:
{
PairEventData retVal(Sim->dynamics->SphereWellEvent(iEvent, -wd, ld2, 0));
if (retVal.getType() != BOUNCE) ICapture::remove(p1, p2);
(*Sim->_sigParticleUpdate)(retVal);
Sim->ptrScheduler->fullUpdate(p1, p2);
for (shared_ptr<OutputPlugin> & Ptr : Sim->outputPlugins)
Ptr->eventUpdate(iEvent, retVal);
break;
}
default:
M_throw() << "Unknown collision type";
}
}
SymbolTable* SymbolTable::cloneCapturedNames(VM& vm)
{
SymbolTable* result = SymbolTable::create(vm);
result->m_parameterCountIncludingThis = m_parameterCountIncludingThis;
result->m_usesNonStrictEval = m_usesNonStrictEval;
result->m_captureStart = m_captureStart;
result->m_captureEnd = m_captureEnd;
for (auto iter = m_map.begin(), end = m_map.end(); iter != end; ++iter) {
if (!isCaptured(iter->value.getIndex()))
continue;
result->m_map.add(
iter->key,
SymbolTableEntry(iter->value.getIndex(), iter->value.getAttributes()));
}
if (m_slowArguments) {
result->m_slowArguments = std::make_unique<SlowArgument[]>(parameterCount());
for (unsigned i = parameterCount(); i--;)
result->m_slowArguments[i] = m_slowArguments[i];
}
if (m_uniqueIDMap && result->m_uniqueIDMap) {
{
auto iter = m_uniqueIDMap->begin();
auto end = m_uniqueIDMap->end();
for (; iter != end; ++iter)
result->m_uniqueIDMap->set(iter->key, iter->value);
}
{
auto iter = m_registerToVariableMap->begin();
auto end = m_registerToVariableMap->end();
for (; iter != end; ++iter)
result->m_registerToVariableMap->set(iter->key, iter->value);
}
{
auto iter = m_uniqueTypeSetMap->begin();
auto end = m_uniqueTypeSetMap->end();
for (; iter != end; ++iter)
result->m_uniqueTypeSetMap->set(iter->key, iter->value);
}
}
return result;
}
bool
IThinThread::validateState(const Particle& p1, const Particle& p2, bool textoutput) const
{
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double l = (_lambda->getProperty(p1.getID())
+ _lambda->getProperty(p2.getID())) * 0.5;
if (isCaptured(p1, p2))
{
if (!Sim->dynamics->sphereOverlap(p1, p2, l * d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " registered as being inside the well at " << l * d / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
if (Sim->dynamics->sphereOverlap(p1, p2, d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " are inside the well with an inner hard core at " << d / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
}
else
if (Sim->dynamics->sphereOverlap(p1, p2, d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " have entered the core at " << d / Sim->units.unitLength()
<< " and are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< " AND they've not entered the thin-thread well either."
<< std::endl;
return true;
}
return false;
}
IntEvent
IDumbbells::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics.getLiouvillean().isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics.getLiouvillean().isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
CPDData colldat(*Sim, p1, p2);
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double l = (_length->getProperty(p1.getID())
+ _length->getProperty(p2.getID())) * 0.5;
if (isCaptured(p1, p2))
{
//Run this to determine when the spheres no longer intersect
Sim->dynamics.getLiouvillean()
.SphereSphereOutRoot(colldat, (l + d) * (l + d),
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC));
//colldat.dt has the upper limit of the line collision time
//Lower limit is right now
//Test for a line collision
//Upper limit can be HUGE_VAL!
if (Sim->dynamics.getLiouvillean().getOffCenterSphereOffCenterSphereCollision
(colldat, l, d, p1, p2))
return IntEvent(p1, p2, colldat.dt, CORE, *this);
return IntEvent(p1, p2, colldat.dt, WELL_OUT, *this);
}
if (Sim->dynamics.getLiouvillean()
.SphereSphereInRoot(colldat, (l + d) * (l + d),
p1.testState(Particle::DYNAMIC),
p2.testState(Particle::DYNAMIC)))
return IntEvent(p1, p2, colldat.dt, WELL_IN, *this);
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
IntEvent
ISoftCore::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics.getLiouvillean().isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics.getLiouvillean().isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
if (isCaptured(p1, p2))
{
double dt = Sim->dynamics.getLiouvillean().SphereSphereOutRoot(p1, p2, d);
if (dt != HUGE_VAL)
return IntEvent(p1, p2, dt, WELL_OUT, *this);
}
else
{
double dt = Sim->dynamics.getLiouvillean()
.SphereSphereInRoot(p1, p2, d);
if (dt != HUGE_VAL)
{
#ifdef DYNAMO_OverlapTesting
if (Sim->dynamics.getLiouvillean().sphereOverlap(p1, p2, d))
M_throw() << "Overlapping particles found"
<< ", particle1 " << p1.getID()
<< ", particle2 " << p2.getID()
<< "\nOverlap = "
<< Sim->dynamics.getLiouvillean()
.sphereOverlap(p1, p2, d)
/ Sim->dynamics.units().unitLength();
#endif
return IntEvent(p1, p2, dt, WELL_IN, *this);
}
}
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
std::string
pcl::io::depth_sense::DepthSenseDeviceManager::captureDevice (DepthSenseGrabberImpl* grabber, const std::string& sn)
{
boost::mutex::scoped_lock lock (mutex_);
std::vector<DepthSense::Device> devices = context_.getDevices ();
for (size_t i = 0; i < devices.size (); ++i)
{
if (devices[i].getSerialNumber () == sn)
{
if (isCaptured (sn))
THROW_IO_EXCEPTION ("device with serial number %s is captured by another grabber", sn.c_str ());
return (captureDevice (grabber, devices[i]));
}
}
THROW_IO_EXCEPTION ("device with serial number %s is not connected", sn.c_str ());
return (""); // never reached, needed just to silence -Wreturn-type warning
}
IntEvent
ILines::getEvent(const Particle &p1, const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics->isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics->isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
double l = (_length->getProperty(p1.getID())
+ _length->getProperty(p2.getID())) * 0.5;
if (isCaptured(p1, p2))
{
//Run this to determine when the spheres no longer intersect
double dt = Sim->dynamics->SphereSphereOutRoot(p1, p2, l);
std::pair<bool, double> colltime = Sim->dynamics->getLineLineCollision(l, p1, p2, dt);
if (colltime.second == HUGE_VAL)
return IntEvent(p1, p2, dt, NBHOOD_OUT, *this);
//Something happens in the time interval
if (colltime.first)
//Its a collision!
return IntEvent(p1, p2, colltime.second, CORE, *this);
else
//Its a virtual event, we need to recalculate in a bit
return IntEvent(p1, p2, colltime.second, VIRTUAL, *this);
}
else
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, l);
if (dt != HUGE_VAL)
return IntEvent(p1, p2, dt, NBHOOD_IN, *this);
}
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
IntEvent
ISoftCore::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics.getLiouvillean().isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics.getLiouvillean().isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
CPDData colldat(*Sim, p1, p2);
double d2 = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
d2 *= d2;
if (isCaptured(p1, p2))
{
if (Sim->dynamics.getLiouvillean()
.SphereSphereOutRoot(colldat, d2,
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC)))
return IntEvent(p1, p2, colldat.dt, WELL_OUT, *this);
}
else if (Sim->dynamics.getLiouvillean()
.SphereSphereInRoot(colldat, d2,
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC)))
{
#ifdef DYNAMO_OverlapTesting
if (Sim->dynamics.getLiouvillean().sphereOverlap(colldat,d2))
M_throw() << "Overlapping cores (but not registered as captured) particles found in soft core"
<< "\nparticle1 " << p1.getID() << ", particle2 "
<< p2.getID() << "\nOverlap = "
<< (sqrt(colldat.r2) - sqrt(d2)) / Sim->dynamics.units().unitLength();
#endif
return IntEvent(p1, p2, colldat.dt, WELL_IN, *this);
}
return IntEvent(p1, p2, HUGE_VAL, NONE, *this);
}
IntEvent
ISquareWell::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics->isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics->isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double l = (_lambda->getProperty(p1.getID())
+ _lambda->getProperty(p2.getID())) * 0.5;
IntEvent retval(p1, p2, HUGE_VAL, NONE, *this);
if (isCaptured(p1, p2))
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, d);
if (dt != HUGE_VAL)
retval = IntEvent(p1, p2, dt, CORE, *this);
dt = Sim->dynamics->SphereSphereOutRoot(p1, p2, l * d);
if (retval.getdt() > dt)
retval = IntEvent(p1, p2, dt, STEP_OUT, *this);
}
else
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, l * d);
if (dt != HUGE_VAL)
retval = IntEvent(p1, p2, dt, STEP_IN, *this);
}
return retval;
}
Event
IThinThread::getEvent(const Particle &p1, const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics->isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics->isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
const double d = _diameter->getProperty(p1, p2);
const double l = _lambda->getProperty(p1, p2);
Event retval(p1, std::numeric_limits<float>::infinity(), INTERACTION, NONE, ID, p2);
if (isCaptured(p1, p2))
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, d);
if (dt != std::numeric_limits<float>::infinity())
retval = Event(p1, dt, INTERACTION, CORE, ID, p2);
dt = Sim->dynamics->SphereSphereOutRoot(p1, p2, l * d);
if (retval._dt > dt)
retval = Event(p1, dt, INTERACTION, STEP_OUT, ID, p2);
}
else
{
double dt = Sim->dynamics->SphereSphereInRoot(p1, p2, d);
if (dt != std::numeric_limits<float>::infinity())
retval = Event(p1, dt, INTERACTION, CORE, ID, p2);
}
return retval;
}
IntEvent
ISWSequence::getEvent(const Particle &p1,
const Particle &p2) const
{
#ifdef DYNAMO_DEBUG
if (!Sim->dynamics.getLiouvillean().isUpToDate(p1))
M_throw() << "Particle 1 is not up to date";
if (!Sim->dynamics.getLiouvillean().isUpToDate(p2))
M_throw() << "Particle 2 is not up to date";
if (p1 == p2)
M_throw() << "You shouldn't pass p1==p2 events to the interactions!";
#endif
#ifdef DYNAMO_CollDebug
std::cerr << "\n Testing p1 = " << p1.getID() << " p2 = " << p2.getID();
#endif
CPDData colldat(*Sim, p1, p2);
double d = (_diameter->getProperty(p1.getID())
+ _diameter->getProperty(p2.getID())) * 0.5;
double d2 = d * d;
double l = (_lambda->getProperty(p1.getID())
+ _lambda->getProperty(p2.getID())) * 0.5;
double ld2 = d * l * d * l;
IntEvent retval(p1, p2, HUGE_VAL, NONE, *this);
if (isCaptured(p1, p2))
{
if (Sim->dynamics.getLiouvillean()
.SphereSphereInRoot(colldat, d2,
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC)))
{
#ifdef DYNAMO_OverlapTesting
//Check that there is no overlap
if (Sim->dynamics.getLiouvillean().sphereOverlap(colldat, d2))
M_throw() << "Overlapping particles found"
<< ", particle1 " << p1.getID()
<< ", particle2 "
<< p2.getID() << "\nOverlap = " << (sqrt(colldat.r2) - sqrt(d2))/Sim->dynamics.units().unitLength();
#endif
retval = IntEvent(p1, p2, colldat.dt, CORE, *this);
}
if (Sim->dynamics.getLiouvillean()
.SphereSphereOutRoot(colldat, ld2,
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC)))
if (retval.getdt() > colldat.dt)
retval = IntEvent(p1, p2, colldat.dt, WELL_OUT, *this);
}
else if (Sim->dynamics.getLiouvillean()
.SphereSphereInRoot(colldat, ld2,
p1.testState(Particle::DYNAMIC), p2.testState(Particle::DYNAMIC)))
{
#ifdef DYNAMO_OverlapTesting
if (Sim->dynamics.getLiouvillean().sphereOverlap(colldat,ld2))
{
if (Sim->dynamics.getLiouvillean().sphereOverlap(colldat,d2))
M_throw() << "Overlapping cores (but not registerd as captured) particles found in square well"
<< "\nparticle1 " << p1.getID() << ", particle2 "
<< p2.getID() << "\nOverlap = " << (sqrt(colldat.r2) - sqrt(d2))/Sim->dynamics.units().unitLength();
else
M_throw() << "Overlapping wells (but not registerd as captured) particles found"
<< "\nparticle1 " << p1.getID() << ", particle2 "
<< p2.getID() << "\nOverlap = " << (sqrt(colldat.r2) - sqrt(ld2))/Sim->dynamics.units().unitLength();
}
#endif
retval = IntEvent(p1, p2, colldat.dt, WELL_IN, *this);
}
return retval;
}
bool
ISWSequence::validateState(const Particle& p1, const Particle& p2, bool textoutput) const
{
const double d = _diameter->getProperty(p1, p2);
const double l = _lambda->getProperty(p1, p2);
const double pairenergy = alphabet[sequence[p1.getID() % sequence.size()]][sequence[p2.getID() % sequence.size()]] * _unitEnergy->getMaxValue();
/*Check if there is no well interaction between the pair*/
if (pairenergy == 0)
{
if (Sim->dynamics->sphereOverlap(p1, p2, d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " have entered the core at " << d / Sim->units.unitLength()
<< " and are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
else
return false;
}
if (isCaptured(p1, p2))
{
if (!Sim->dynamics->sphereOverlap(p1, p2, l * d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " registered as being inside the well at " << l * d / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
if (Sim->dynamics->sphereOverlap(p1, p2, d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " are inside the well with an inner hard core at " << d / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
}
else
if (Sim->dynamics->sphereOverlap(p1, p2, l * d))
{
if (textoutput)
derr << "Particle " << p1.getID() << " and Particle " << p2.getID()
<< " are registered as being outside the well at a distance of " << l * d / Sim->units.unitLength()
<< " but they are at a distance of "
<< Sim->BCs->getDistance(p1, p2) / Sim->units.unitLength()
<< std::endl;
return true;
}
return false;
}
void ColorNode::deselect()
{
m_flags &= ~IsSelectedMask;
setFrame( isCaptured() ? ColorNodeFrames::get()->captured_frame : ColorNodeFrames::get()->deselected_frame );
}
