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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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class Restraints{ |
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public: |
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Restraints(SimInfo * info, double lambdaVal, double lambdaExp); |
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Restraints(SimInfo * info, RealType lambdaVal, RealType lambdaExp); |
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~Restraints(); |
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void Calc_rVal(Vector3d &position, double refPosition[3]); |
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void Calc_body_thetaVal(RotMat3x3d &matrix, double refUnit[3]); |
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void Calc_body_omegaVal(double zAngle); |
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double Calc_Restraint_Forces(); |
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double getVharm() { return harmPotent; } |
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void Calc_rVal(Vector3d &position, RealType refPosition[3]); |
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void Calc_body_thetaVal(RotMat3x3d &matrix, RealType refUnit[3]); |
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void Calc_body_omegaVal(RealType zAngle); |
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RealType Calc_Restraint_Forces(); |
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RealType getVharm() { return harmPotent; } |
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private: |
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SimInfo * info_; |
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int i, j; |
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double scaleLam; |
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double delRx, delRy, delRz; |
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double theta, omega; |
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double vProj0[3]; |
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double vProjDist; |
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double uTx, uTy, uTz, vTx, vTy, vTz; |
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double ub0x, ub0y, ub0z, vb0x, vb0y, vb0z; |
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double kTheta, kOmega, kDist; |
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double restraintFrc[3]; |
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double restraintTrq[3]; |
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double normalize; |
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double dVdrx, dVdry, dVdrz; |
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double dVdux, dVduy, dVduz; |
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double dVdvx, dVdvy, dVdvz; |
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double harmPotent; |
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double lambdaValue; |
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double lambdaK; |
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RealType scaleLam; |
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RealType delRx, delRy, delRz; |
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RealType theta, omega; |
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RealType vProj0[3]; |
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RealType vProjDist; |
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RealType uTx, uTy, uTz, vTx, vTy, vTz; |
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RealType ub0x, ub0y, ub0z, vb0x, vb0y, vb0z; |
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RealType kTheta, kOmega, kDist; |
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RealType restraintFrc[3]; |
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RealType restraintTrq[3]; |
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RealType normalize; |
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RealType dVdrx, dVdry, dVdrz; |
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RealType dVdux, dVduy, dVduz; |
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RealType dVdvx, dVdvy, dVdvz; |
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RealType harmPotent; |
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RealType lambdaValue; |
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RealType lambdaK; |
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char *token; |
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char fileName[200]; |