44 |
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45 |
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public: |
46 |
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47 |
< |
CubicBendType(double theta, double k2, double k3) : BendType(theta), k2_(k2), k3_(k3) { |
47 |
> |
CubicBendType(double theta, double k3, double k2, double k1, double k0) |
48 |
> |
: BendType(theta),k3_(k3), k2_(k2), k1_(k1), k0_(k0){ |
49 |
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} |
50 |
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51 |
< |
void setForceConstant(double k2, double k3) { |
51 |
< |
k2_ = k2; |
51 |
> |
void setForceConstant(double k3, double k2, double k1, double k0) { |
52 |
|
k3_ = k3; |
53 |
+ |
k2_ = k2; |
54 |
+ |
k1_ = k1; |
55 |
+ |
k0_ = k0; |
56 |
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} |
57 |
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58 |
< |
void getForceConstant(double& k2, double& k3) { |
56 |
< |
k2 = k2_; |
58 |
> |
void getForceConstant(double& k3, double& k2, double& k1, double& k0) { |
59 |
|
k3 = k3_; |
60 |
+ |
k2 = k2_; |
61 |
+ |
k1 = k1_; |
62 |
+ |
k0 = k0_ |
63 |
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} |
64 |
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65 |
< |
virtual void calcForce(double theta, double& V, double& dVdr) { |
65 |
> |
virtual void calcForce(double theta, double& V, double& dVdTheta) { |
66 |
|
double delta = theta- theta0_; |
67 |
|
double delta2 = delta * delta; |
68 |
|
double delta3 = delta2 * delta; |
69 |
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70 |
< |
V = 0.5 * (k2_*delta2 + k3_*delta3); |
71 |
< |
dVdr = k2_ * delta + 1.5 * k3_*delta2; |
70 |
> |
V =k0_ + k1_ * delta + k2_*delta2 + k3_*delta3; |
71 |
> |
dVdTheta = k1_ + 2.0*k2_ * delta + 3.0 * k3_*delta2; |
72 |
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} |
73 |
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74 |
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private: |
75 |
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|
71 |
– |
double k2_; |
76 |
|
double k3_; |
77 |
+ |
double k2_; |
78 |
+ |
double k1_; |
79 |
+ |
double k0_; |
80 |
|
|
81 |
|
}; |
82 |
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