| 123 |
|
Snapshot* currentSnap_ = info_->getSnapshotManager()->getCurrentSnapshot(); |
| 124 |
|
Mat3x3d hmat = currentSnap_->getHmat(); |
| 125 |
|
|
| 126 |
+ |
std::cerr << "hmat = " << hmat << "\n"; |
| 127 |
+ |
|
| 128 |
|
seleMan_.setSelectionSet(evaluator_.evaluate()); |
| 129 |
|
|
| 130 |
|
std::cerr << "selectionCount = " << seleMan_.getSelectionCount() << "\n\n"; |
| 131 |
|
|
| 132 |
< |
int i; |
| 132 |
> |
int selei; |
| 133 |
|
StuntDouble* sd; |
| 134 |
< |
int idx = sd->getLocalIndex(); |
| 134 |
> |
int idx; |
| 135 |
|
|
| 136 |
|
std::vector<tuple3<RealType, int, StuntDouble* > > endSlice; |
| 137 |
|
std::vector<tuple3<RealType, int, StuntDouble* > > midSlice; |
| 138 |
|
|
| 139 |
< |
for (sd = seleMan_.beginSelected(i); sd != NULL; |
| 140 |
< |
sd = seleMan_.nextSelected(i)) { |
| 139 |
> |
for (sd = seleMan_.beginSelected(selei); sd != NULL; |
| 140 |
> |
sd = seleMan_.nextSelected(selei)) { |
| 141 |
|
|
| 142 |
+ |
idx = sd->getLocalIndex(); |
| 143 |
+ |
|
| 144 |
|
Vector3d pos = sd->getPos(); |
| 145 |
|
|
| 146 |
+ |
std::cerr << "idx = " << idx << "pos = " << pos << "\n"; |
| 147 |
|
// wrap the stuntdouble's position back into the box: |
| 148 |
|
|
| 149 |
|
if (usePeriodicBoundaryConditions_) |
| 150 |
|
currentSnap_->wrapVector(pos); |
| 151 |
+ |
std::cerr << "new pos.z = " << pos.z() << "\n"; |
| 152 |
|
|
| 153 |
|
// which bin is this stuntdouble in? |
| 154 |
|
|
| 155 |
|
int binNo = int(nBins_ * (pos.z()) / hmat(2,2)); |
| 156 |
|
|
| 157 |
+ |
std::cerr << "bin = " << binNo << "\n"; |
| 158 |
+ |
|
| 159 |
|
// if we're in bin 0 or the middleBin |
| 160 |
|
if (binNo == 0 || binNo == midBin) { |
| 161 |
|
|
