49 |
|
#include "utils/NumericConstant.hpp" |
50 |
|
#include "applications/staticProps/StaticAnalyser.hpp" |
51 |
|
|
52 |
+ |
using namespace std; |
53 |
|
namespace OpenMD { |
54 |
|
|
55 |
|
class pAngle : public StaticAnalyser { |
56 |
|
|
57 |
|
public: |
58 |
< |
pAngle(SimInfo* info, const std::string& filename, const std::string& sele, int nzbins); |
58 |
> |
pAngle(SimInfo* info, const string& filename, |
59 |
> |
const string& sele1, int nzbins); |
60 |
> |
pAngle(SimInfo* info, const string& filename, |
61 |
> |
const string& sele1, const string& sele2, int nzbins); |
62 |
> |
pAngle(SimInfo* info, const string& filename, |
63 |
> |
const string& sele, const int seleOffset, int nzbins); |
64 |
> |
pAngle(SimInfo* info, const string& filename, |
65 |
> |
const string& sele, const int seleOffset, const int seleOffset2, |
66 |
> |
int nzbins); |
67 |
|
|
68 |
|
int getNThetaBins() { |
69 |
|
return nThetaBins_; |
77 |
|
void writeProbs(); |
78 |
|
|
79 |
|
Snapshot* currentSnapshot_; |
80 |
< |
|
81 |
< |
int nProcessed_; |
82 |
< |
std::string selectionScript_; |
83 |
< |
SelectionEvaluator evaluator_; |
84 |
< |
SelectionManager seleMan_; |
85 |
< |
|
86 |
< |
int nThetaBins_; |
87 |
< |
|
88 |
< |
std::vector<int> count_; |
89 |
< |
std::vector<RealType> histogram_; |
80 |
> |
|
81 |
> |
bool doVect_; |
82 |
> |
bool doOffset_; |
83 |
> |
bool doOffset2_; |
84 |
> |
string selectionScript1_; |
85 |
> |
string selectionScript2_; |
86 |
> |
SelectionManager seleMan1_; |
87 |
> |
SelectionManager seleMan2_; |
88 |
> |
SelectionEvaluator evaluator1_; |
89 |
> |
SelectionEvaluator evaluator2_; |
90 |
> |
int seleOffset_; |
91 |
> |
int seleOffset2_; |
92 |
> |
|
93 |
> |
int nProcessed_; |
94 |
> |
int nThetaBins_; |
95 |
> |
vector<int> count_; |
96 |
> |
vector<RealType> histogram_; |
97 |
|
}; |
98 |
|
|
99 |
|
} |