| 22 |
|
Restraints(double lambdaVal, double lambdaExp); |
| 23 |
|
~Restraints(); |
| 24 |
|
|
| 25 |
< |
void Calc_rVal(double position[3], int currentMol); |
| 26 |
< |
void Calc_body_thetaVal(double matrix[3][3], int currentMol); |
| 25 |
> |
void Calc_rVal(double position[3], double refPosition[3]); |
| 26 |
> |
void Calc_body_thetaVal(double matrix[3][3], double refUnit[3]); |
| 27 |
|
void Calc_body_omegaVal(double matrix[3][3], double zAngle); |
| 28 |
|
double Calc_Restraint_Forces(vector<StuntDouble*> vecParticles); |
| 29 |
< |
void Store_Init_Info(vector<StuntDouble*> vecParticles); |
| 30 |
< |
void Write_zAngle_File(vector<StuntDouble*> vecParticles); |
| 29 |
> |
// void Store_Init_Info(vector<StuntDouble*> vecParticles); |
| 30 |
> |
void Write_zAngle_File(vector<StuntDouble*> vecParticles, |
| 31 |
> |
int currTime, |
| 32 |
> |
int nIntObj); |
| 33 |
|
double getVharm(); |
| 34 |
|
|
| 35 |
|
private: |
| 55 |
|
double lambdaValue; |
| 56 |
|
double lambdaK; |
| 57 |
|
|
| 56 |
– |
vector<double> cofmPosX; |
| 57 |
– |
vector<double> cofmPosY; |
| 58 |
– |
vector<double> cofmPosZ; |
| 59 |
– |
vector<double> ubX0; |
| 60 |
– |
vector<double> uX0; |
| 61 |
– |
vector<double> ubY0; |
| 62 |
– |
vector<double> uY0; |
| 63 |
– |
vector<double> ubZ0; |
| 64 |
– |
vector<double> uZ0; |
| 65 |
– |
vector<double> vbX0; |
| 66 |
– |
vector<double> vX0; |
| 67 |
– |
vector<double> vbY0; |
| 68 |
– |
vector<double> vY0; |
| 69 |
– |
vector<double> vbZ0; |
| 70 |
– |
vector<double> vZ0; |
| 71 |
– |
|
| 72 |
– |
// SimInfo *info; // all the info we'll ever need |
| 73 |
– |
// Atom **atoms; /* array of atom pointers */ |
| 74 |
– |
// DirectionalAtom* dAtom; |
| 75 |
– |
// SimInfo *againInfo; // all the info we'll ever need |
| 76 |
– |
|
| 58 |
|
char *token; |
| 59 |
|
char fileName[200]; |
| 60 |
|
char angleName[200]; |
