source: src/Potentials/helpers.hpp@ 775dd1a

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Last change on this file since 775dd1a was 775dd1a, checked in by Frederik Heber <heber@…>, 12 years ago

Triplefunction for Saturation and Tersoff potential have to be given extra.

  • this avoids a loop with TrainingData and getFragmentSpecificExtractor.
  • Property mode set to 100644
File size: 2.2 KB
Line 
1/*
2 * helpers.hpp
3 *
4 * Created on: Sep 26, 2012
5 * Author: heber
6 */
7
8#ifndef POTENTIALS_HELPERS_HPP_
9#define POTENTIALS_HELPERS_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <cmath>
18//#include <iomanip>
19#include <limits>
20//#include <sstream>
21
22#include "FunctionApproximation/FunctionModel.hpp"
23#include "FunctionApproximation/FunctionArgument.hpp"
24
25//#include "CodePatterns/Log.hpp"
26
27namespace Helpers
28{
29
30 /** Integer-optimized version for power of n.
31 *
32 * This is taken from Julian Iseringhausen's VMG project which is under
33 * GPL.
34 *
35 * @param base base
36 * @param power power to take \a base to
37 * @return \a base to the power of \a power
38 */
39 inline int intpow(int base, unsigned int power)
40 {
41 int result = 1;
42 while (power != 0) {
43 if (power & 1)
44 result *= base;
45 base *= base;
46 power >>= 1;
47 }
48 return result;
49 }
50
51 /** Double-optimized version for power of n.
52 *
53 * This is taken from Julian Iseringhausen's VMG project which is under
54 * GPL.
55 *
56 * @param base base
57 * @param power power to take \a base to
58 * @return \a base to the power of \a power
59 */
60 inline double pow(double base, unsigned int power)
61 {
62 double result = 1.0;
63 while (power != 0) {
64 if (power & 1)
65 result *= base;
66 base *= base;
67 power >>= 1;
68 }
69 return result;
70 }
71
72 /** Equality operator that takes numerical precision into account.
73 *
74 * \param first first operand
75 * \param second second operand
76 * \param factor factor to influence numeric threshold
77 */
78 template <typename T>
79 inline bool isEqual(const T &first, const T &second, const double factor=1.) {
80// std::stringstream stream;
81// stream << std::setprecision(10)
82// << "Comparing " << first << " to " << second << ": "
83// << fabs(first-second) << "<" << std::numeric_limits<T>::epsilon()*factor << "?";
84// LOG(1, stream.str());
85 return (fabs(first-second) < std::numeric_limits<T>::epsilon()*factor);
86 }
87
88 inline std::vector< FunctionModel::arguments_t >
89 NoOp_Triplefunction(
90 const argument_t &,
91 const double)
92 {
93 return std::vector< FunctionModel::arguments_t >();
94 }
95
96}; /* namespace Helpers */
97
98
99#endif /* POTENTIALS_HELPERS_HPP_ */
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