[ViewVC] Diff of: group/branches/new_design/OOPSE-4/src/types/PolynomialTorsionType.hpp

Comparing branches/new_design/OOPSE-4/src/types/PolynomialTorsionType.hpp (file contents):
Revision 1746 by tim, Wed Nov 17 06:37:56 2004 UTC vs.
Revision 1798 by tim, Tue Nov 30 03:32:12 2004 UTC

#	Line 25 \| Line 25
25
26		/**
27		* @file PolynomialTorsionType.hpp
28	<	* @author teng lin
28	>	* @author teng lin
29		* @date 11/16/2004
30		* @version 1.0
31		*/
#	Line 33 \| Line 33 \| namespace oopse {
33		#ifndef TYPES_POLYNOMIALBONDTYPE_HPP
34		#define TYPES_POLYNOMIALBONDTYPE_HPP
35
36	–	namespace oopse {
37	–
36		#include "math/Polynomial.hpp"
37		#include "types/TorsionType.hpp"
38	+
39	+	namespace oopse {
40	+
41		/**
42		* @class PolynomialTorsionType PolynomialTorsionType.hpp "types/PolynomialTorsionType.hpp"
43		* @todo documentation
#	Line 45 \| Line 46 \| class PolynomialTorsionType : public TorsionType{
46
47		public:
48		PolynomialTorsionType() {}
49	<	PolynomialTorsionType(double r0, const std::vector<int>& power,
50	<	const std::vector<double>& coeff) : BondType(r0){
49	>
50	>	double getCoefficient(int power) {
51	>	return polynomial_.getCoefficient(power);
52		}
53
54	+	void addCoefficient(int power, double coefficient) {
55	+	polynomial_.addCoefficient(power, coefficient);
56	+	}
57	+
58		void setCoefficient(int power, double coefficient) {
59		polynomial_.setCoefficient(power, coefficient);
60		}
61
62	<	double getCoefficient(int power) {
63	<	return polynomial_.getCoefficient(power);
62	>	void setPolynomial(const DoublePolynomial& p) {
63	>	polynomial_ = p;
64		}
65
66		virtual void calcForce(double cosPhi, double sinPhi, double& V, double& dVdPhi) {

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