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root/group/branches/new_design/OOPSE-2.0/src/types/PolynomialTorsionType.hpp
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Comparing branches/new_design/OOPSE-2.0/src/types/PolynomialTorsionType.hpp (file contents):
Revision 1746 by tim, Wed Nov 17 06:37:56 2004 UTC vs.
Revision 1747 by tim, Wed Nov 17 18:58:49 2004 UTC

# Line 45 | Line 45 | class PolynomialTorsionType : public TorsionType{
45  
46      public:
47          PolynomialTorsionType() {}
48 <        PolynomialTorsionType(double r0, const std::vector<int>& power,
49 <            const std::vector<double>& coeff) : BondType(r0){
48 >
49 >        double getCoefficient(int power) {
50 >            return polynomial_.getCoefficient(power);
51          }
52  
53 +        void addCoefficient(int power, double coefficient) {
54 +            polynomial_.addCoefficient(power, coefficient);
55 +        }
56 +
57          void setCoefficient(int power, double coefficient) {
58              polynomial_.setCoefficient(power, coefficient);
59          }
60  
61 <        double getCoefficient(int power) {
62 <            return polynomial_.getCoefficient(power);
61 >        void setPolynomial(const DoublePolynomial& p) {
62 >            polynomial_ = p;
63          }
64          
65          virtual void calcForce(double cosPhi, double sinPhi, double& V, double& dVdPhi) {

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