44 |
|
#include "selection/SelectionManager.hpp" |
45 |
|
#include "applications/staticProps/StaticAnalyser.hpp" |
46 |
|
|
47 |
+ |
using namespace std; |
48 |
|
namespace OpenMD { |
49 |
|
|
50 |
< |
class P2OrderParameter : public StaticAnalyser{ |
51 |
< |
public: |
52 |
< |
P2OrderParameter(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2); |
53 |
< |
virtual void process(); |
54 |
< |
|
55 |
< |
private: |
56 |
< |
|
57 |
< |
struct OrderParam{ |
58 |
< |
RealType p2; |
59 |
< |
Vector3d director; |
60 |
< |
RealType angle; |
61 |
< |
}; |
62 |
< |
void writeP2(); |
63 |
< |
|
64 |
< |
Snapshot* currentSnapshot_; |
64 |
< |
|
65 |
< |
std::string selectionScript1_; |
66 |
< |
std::string selectionScript2_; |
67 |
< |
SelectionManager seleMan1_; |
68 |
< |
SelectionManager seleMan2_; |
69 |
< |
SelectionEvaluator evaluator1_; |
70 |
< |
SelectionEvaluator evaluator2_; |
71 |
< |
std::vector<std::pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used to define a vector, vector = first - second */ |
72 |
< |
std::vector<OrderParam> orderParams_; |
73 |
< |
|
50 |
> |
class P2OrderParameter : public StaticAnalyser{ |
51 |
> |
public: |
52 |
> |
P2OrderParameter(SimInfo* info, const string& filename, |
53 |
> |
const string& sele1); |
54 |
> |
P2OrderParameter(SimInfo* info, const string& filename, |
55 |
> |
const string& sele1, const string& sele2); |
56 |
> |
virtual void process(); |
57 |
> |
|
58 |
> |
private: |
59 |
> |
|
60 |
> |
struct OrderParam{ |
61 |
> |
RealType p2; |
62 |
> |
Vector3d director; |
63 |
> |
RealType angle; |
64 |
> |
RealType p4; |
65 |
|
}; |
66 |
+ |
|
67 |
+ |
void writeP2(); |
68 |
+ |
|
69 |
+ |
Snapshot* currentSnapshot_; |
70 |
+ |
|
71 |
+ |
bool doVect_; |
72 |
+ |
string selectionScript1_; |
73 |
+ |
string selectionScript2_; |
74 |
+ |
SelectionManager seleMan1_; |
75 |
+ |
SelectionManager seleMan2_; |
76 |
+ |
SelectionEvaluator evaluator1_; |
77 |
+ |
SelectionEvaluator evaluator2_; |
78 |
+ |
vector<pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used |
79 |
+ |
to define a vector, |
80 |
+ |
v = first - second |
81 |
+ |
*/ |
82 |
+ |
vector<OrderParam> orderParams_; |
83 |
+ |
|
84 |
+ |
}; |
85 |
|
} |
86 |
|
|
87 |
|
#endif |