void ProximityMap::build(const POIvec &pois)
{
/* how many entries we still have to fill */
int allToDo = widet * hedet * entries,
leftToDo = allToDo;
int npois = (int)pois.size();
assert(npois < 65536); /* because poiid_t is unsigned short */
assert(entries <= npois);
progress(0);
/* this is temporary array that keeps track of how many entries were added
* to each field. when the algoritm finishes, all fields have 'entries'
* entries, so this array can be safely discarded */
usedEntries = Array2D<poiid_t>(widet, hedet);
usedEntries.fill(0);
std::priority_queue<djk> Q;
for(poiid_t i=0; i<npois; i++)
{
int xi = roundf(pois[i].x*detail),
yi = roundf(pois[i].y*detail);
Q.push(djk(0, xi, yi, i));
}
while(leftToDo)
{
assert(Q.size());
djk o = Q.top();
Q.pop();
if(!canVisit(o))
continue;
pushEntry(o);
leftToDo--;
if(leftToDo % 20000 == 0)
progress((float)(allToDo - leftToDo) / (float)allToDo);
for(int dx=-1; dx<=1; dx++)
for(int dy=-1; dy<=1; dy++)
{
djk u;
u.xi = o.xi + dx;
u.yi = o.yi + dy;
u.id = o.id;
u.dist = (Point((float)u.xi / detail, (float)u.yi / detail) - pois[u.id]).dist();
if(canVisit(u))
Q.push(u);
}
}
/* free usedEntries' memory */
usedEntries = Array2D<poiid_t>();
}
void LipidHeadVisitor::visit(RigidBody* rb){
Vector3d pos;
Vector3d u(0, 0, 1);
Vector3d newVec;
GenericData* data;
AtomData* atomData;
AtomInfo* atomInfo;
bool haveAtomData;
RotMat3x3d rotMatrix;
if(!canVisit(rb->getType()))
return;
pos = rb->getPos();
rotMatrix = rb->getA();
//matVecMul3(rotMatrix, u, newVec);
newVec = rotMatrix * u;
data = rb->getPropertyByName("ATOMDATA");
if(data != NULL){
atomData = dynamic_cast<AtomData*>(data);
if(atomData == NULL){
std::cerr << "can not get Atom Data from " << rb->getType() << std::endl;
atomData = new AtomData;
haveAtomData = false;
} else
haveAtomData = true;
} else {
atomData = new AtomData;
haveAtomData = false;
}
atomInfo = new AtomInfo;
atomInfo->atomTypeName = "X";
atomInfo->pos[0] = pos[0];
atomInfo->pos[1] = pos[1];
atomInfo->pos[2] = pos[2];
atomInfo->vec[0] = newVec[0];
atomInfo->vec[1] = newVec[1];
atomInfo->vec[2] = newVec[2];
atomData->addAtomInfo(atomInfo);
if(!haveAtomData){
atomData->setID("ATOMDATA");
rb->addProperty(atomData);
}
}
