| 44 |
|
#include "applications/staticProps/RadialDistrFunc.hpp" |
| 45 |
|
namespace OpenMD { |
| 46 |
|
|
| 47 |
< |
class GofRZ : public RadialDistrFunc { |
| 47 |
> |
class GofRZ : public RadialDistrFunc { |
| 48 |
|
|
| 49 |
< |
public: |
| 50 |
< |
GofRZ(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, int nrbins, int nZBins); |
| 49 |
> |
public: |
| 50 |
> |
GofRZ(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, RealType zlen, int nrbins, int nZBins); |
| 51 |
|
|
| 52 |
< |
int getNRBins() { |
| 53 |
< |
return nRBins_; |
| 54 |
< |
} |
| 52 |
> |
int getNRBins() { |
| 53 |
> |
return nRBins_; |
| 54 |
> |
} |
| 55 |
|
|
| 56 |
< |
RealType getLength() { |
| 57 |
< |
return len_; |
| 58 |
< |
} |
| 56 |
> |
RealType getLength() { |
| 57 |
> |
return len_; |
| 58 |
> |
} |
| 59 |
|
|
| 60 |
< |
int getNZBins() {return nZBins_;} |
| 60 |
> |
int getNZBins() {return nZBins_;} |
| 61 |
|
|
| 62 |
< |
private: |
| 62 |
> |
private: |
| 63 |
|
|
| 64 |
< |
virtual void preProcess(); |
| 65 |
< |
virtual void initalizeHistogram(); |
| 66 |
< |
virtual void processHistogram(); |
| 67 |
< |
virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2); |
| 64 |
> |
virtual void preProcess(); |
| 65 |
> |
virtual void initalizeHistogram(); |
| 66 |
> |
virtual void processHistogram(); |
| 67 |
> |
virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2); |
| 68 |
|
|
| 69 |
< |
virtual void writeRdf(); |
| 69 |
> |
virtual void writeRdf(); |
| 70 |
|
|
| 71 |
< |
RealType len_; |
| 72 |
< |
RealType zLen_; |
| 73 |
< |
int nRBins_; |
| 74 |
< |
RealType deltaR_; |
| 75 |
< |
int nZBins_; |
| 76 |
< |
RealType deltaZ_; |
| 71 |
> |
RealType len_; |
| 72 |
> |
RealType zLen_; |
| 73 |
> |
int nRBins_; |
| 74 |
> |
RealType deltaR_; |
| 75 |
> |
int nZBins_; |
| 76 |
> |
RealType deltaZ_; |
| 77 |
|
|
| 78 |
< |
std::vector<std::vector<int> > histogram_; |
| 79 |
< |
std::vector<std::vector<RealType> > avgGofr_; |
| 80 |
< |
int npairs_; |
| 81 |
< |
}; |
| 78 |
> |
std::vector<std::vector<int> > histogram_; |
| 79 |
> |
std::vector<std::vector<RealType> > avgGofr_; |
| 80 |
> |
int npairs_; |
| 81 |
> |
}; |
| 82 |
|
} |
| 83 |
|
#endif |
| 84 |
|
|