void SweepAndPrune::swapEndPoints(unsigned int axis, unsigned int a, unsigned int b) {
auto axisvec = _axis[axis];
EndPoint temp = axisvec->at(a);
axisvec->at(a) = axisvec->at(b);
axisvec->at(b) = temp;
EndPoint& aend = axisvec->at(b);
EndPoint& bend = axisvec->at(a);
auto amax = isMax(aend.box);
auto bmax = isMax(bend.box);
auto aidx = boxIndex(aend.box);
auto bidx = boxIndex(bend.box);
auto& abox = _objects[aidx];
auto& bbox = _objects[bidx];
if (amax)
abox.max[axis] = b;
else
abox.min[axis] = b;
if (bmax)
bbox.max[axis] = a;
else
bbox.min[axis] = a;
}
void SweepAndPrune::fixRefs(unsigned int axis, unsigned int start) {
auto axisvec = _axis[axis];
for (unsigned int i = start; i < axisvec->size() - 1; ++i) {
unsigned int boxIdx = boxIndex(axisvec->at(i).box);
bool max = isMax(axisvec->at(i).box);
if (max)
_objects[boxIdx].max[axis] = i;
else
_objects[boxIdx].min[axis] = i;
}
}
void CState::fillBoxes()
{
cout << "CState::fillBoxes()" << endl;
vec3 atomPosition;
ivec3 boxIndex;
CAtom* atomptr;
for (int i = 0; i < nAtoms; i++)
{
atomptr = atoms[i];
atomPosition = atomptr->getPosition();
for (int j = 0; j < 3; j++)
{
boxIndex(j) = int(floor(atomPosition(j)/boxDimensions(j)));
}
boxes[calculate_box_number(boxIndex, NBoxes)]->addAtom(atomptr);
}
cout << "Exiting CState::fillBoxes()" << endl << endl;
}
void SweepAndPrune::updateAxis(unsigned int axis, unsigned int pos, float newval) {
auto axisvector = _axis[axis];
if (newval == _axis[axis]->at(pos).value) {
//the value has not actually changed, do nothing
return;
}
float oldval = axisvector->at(pos).value;
axisvector->at(pos).value = newval;
if (newval <= axisvector->at(pos + 1).value && newval >= axisvector->at(pos - 1).value) {
//we have changed but we are still in the correct place,
//if there are other boxes in our axis we should check against those
//to make sure we never skip the last axis
checkAndAdd(boxIndex(axisvector->at(pos).box), boxIndex(axisvector->at(pos - 1).box));
checkAndAdd(boxIndex(axisvector->at(pos).box), boxIndex(axisvector->at(pos + 1).box));
return;
}
if (newval < oldval) {
//going down
while (newval < axisvector->at(pos-1).value) {
swapEndPoints(axis, pos-1, pos);
checkAndAdd(boxIndex(axisvector->at(pos).box), boxIndex(axisvector->at(pos-1).box));
pos -= 1;
}
} else {
//going up
while (newval > axisvector->at(pos+1).value) {
swapEndPoints(axis, pos+1, pos);
checkAndAdd(boxIndex(axisvector->at(pos).box), boxIndex(axisvector->at(pos+1).box));
pos += 1;
}
}
}
