/*
* Transform all atomic coordinates from generalized to Cartesian.
*/
void AtomStorage::transformGenToCart(const Boundary& boundary)
{
if (isCartesian()) {
UTIL_THROW("Error: Coordinates are Cartesian on entry");
}
Vector r;
if (nAtom()) {
AtomIterator atomIter;
for (begin(atomIter); atomIter.notEnd(); ++atomIter) {
r = atomIter->position();
boundary.transformGenToCart(r, atomIter->position());
}
}
if (nGhost()) {
GhostIterator ghostIter;
for (begin(ghostIter); ghostIter.notEnd(); ++ghostIter) {
r = ghostIter->position();
boundary.transformGenToCart(r, ghostIter->position());
}
}
isCartesian_ = true;
}
