void Feld::load (const KSimpleConfig& config)
{
if(moving)
killTimers();
mol->load(config);
QString key;
for (int j = 0; j < FIELD_SIZE; j++) {
key.sprintf("feld_%02d", j);
QString line = config.readEntry(key);
for (int i = 0; i < FIELD_SIZE; i++)
feld[i][j] = atom2int(line[i].latin1());
}
moves = 0;
chosen = false;
moving = false;
undoSize = redoSize = undoBegin = 0;
emit enableUndo(false);
emit enableRedo(false);
xpos = ypos = 0;
nextAtom();
}
void updateCOM() {
DataStorage& data = snapshotMan_->getCurrentSnapshot()->*storage_;
bool needsVel = false;
if (data.getStorageLayout() & DataStorage::dslVelocity) needsVel = true;
if (cutoffAtomList.size() == 1) {
data.position[localIndex_] = cutoffAtomList[0]->getPos();
if (needsVel)
data.velocity[localIndex_] = cutoffAtomList[0]->getVel();
} else {
std::vector<Atom *>::iterator i;
Atom * atom;
RealType totalMass = getMass();
data.position[localIndex_] = V3Zero;
if (needsVel) data.velocity[localIndex_] = V3Zero;
for(atom = beginAtom(i); atom != NULL; atom = nextAtom(i)) {
data.position[localIndex_] += atom->getMass() * atom->getPos();
if (needsVel)
data.velocity[localIndex_] += atom->getMass() * atom->getVel();
}
data.position[localIndex_] /= totalMass;
if (needsVel) data.velocity[localIndex_] /= totalMass;
}
}
RealType getMass() {
if (!haveTotalMass) {
totalMass = 0.0;
std::vector<Atom *>::iterator i;
for(Atom* atom = beginAtom(i); atom != NULL; atom = nextAtom(i)) {
RealType mass = atom->getMass();
totalMass += mass;
}
haveTotalMass = true;
}
return totalMass;
}
