56 |
|
const std::string& sele2, |
57 |
|
double rCut, double thetaCut, int nbins) : |
58 |
|
StaticAnalyser(info, filename), |
59 |
< |
selectionScript1_(sele1), evaluator1_(info), seleMan1_(info), |
60 |
< |
selectionScript2_(sele2), evaluator2_(info), seleMan2_(info){ |
59 |
> |
selectionScript1_(sele1), seleMan1_(info), evaluator1_(info), |
60 |
> |
selectionScript2_(sele2), seleMan2_(info), evaluator2_(info) { |
61 |
|
|
62 |
|
setOutputName(getPrefix(filename) + ".hbg"); |
63 |
|
|
112 |
|
Atom* hba2; |
113 |
|
SimInfo::MoleculeIterator mi; |
114 |
|
Molecule::RigidBodyIterator rbIter; |
115 |
– |
Molecule::IntegrableObjectIterator ioi; |
115 |
|
Vector3d dPos; |
116 |
|
Vector3d aPos; |
117 |
|
Vector3d hPos; |