| 879 |
|
|
| 880 |
|
|
| 881 |
|
void SimInfo::prepareTopology() { |
| 882 |
– |
int nExclude, nOneTwo, nOneThree, nOneFour; |
| 882 |
|
|
| 883 |
|
//calculate mass ratio of cutoff group |
| 884 |
|
SimInfo::MoleculeIterator mi; |
| 926 |
|
} |
| 927 |
|
|
| 928 |
|
//scan topology |
| 930 |
– |
|
| 931 |
– |
nExclude = excludedInteractions_.getSize(); |
| 932 |
– |
nOneTwo = oneTwoInteractions_.getSize(); |
| 933 |
– |
nOneThree = oneThreeInteractions_.getSize(); |
| 934 |
– |
nOneFour = oneFourInteractions_.getSize(); |
| 929 |
|
|
| 930 |
|
int* excludeList = excludedInteractions_.getPairList(); |
| 931 |
|
int* oneTwoList = oneTwoInteractions_.getPairList(); |
| 1003 |
|
|
| 1004 |
|
|
| 1005 |
|
StuntDouble* SimInfo::getIOIndexToIntegrableObject(int index) { |
| 1006 |
< |
if (index >= IOIndexToIntegrableObject.size()) { |
| 1006 |
> |
if (index >= int(IOIndexToIntegrableObject.size())) { |
| 1007 |
|
sprintf(painCave.errMsg, |
| 1008 |
|
"SimInfo::getIOIndexToIntegrableObject Error: Integrable Object\n" |
| 1009 |
|
"\tindex exceeds number of known objects!\n"); |
