source: src/helpers.hpp@ 436f04

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Last change on this file since 436f04 was d10eb6, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made the ReturnFullMatrixForSymmetric return a Matrix object directely instead of a double array

  • Property mode set to 100644
File size: 5.2 KB
Line 
1/** \file helpers.hpp
2 *
3 * Declaration of some auxiliary functions for memory dis-/allocation and so on
4 */
5
6#ifndef HELPERS_HPP_
7#define HELPERS_HPP_
8
9using namespace std;
10
11/*********************************************** includes ***********************************/
12
13// include config.h
14#ifdef HAVE_CONFIG_H
15#include <config.h>
16#endif
17
18#include <fstream>
19
20#include "defs.hpp"
21#include "log.hpp"
22#include "memoryallocator.hpp"
23
24/********************************************** definitions *********************************/
25
26/********************************************** helpful functions *********************************/
27
28// taken out of TREMOLO
29/*@-namechecks@*/
30#ifndef __GNUC__
31# undef __attribute__
32# define __attribute__(x)
33#endif
34/*@=namechecks@*/
35
36/* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors)
37 void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung.
38 Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */
39extern void /*@exits@*/ debug(const char *output);
40 //__attribute__ ((__return__));
41#define debug(data) debug_in((data), __FILE__, __LINE__)
42
43extern void /*@exits@*/ debug_in(const char *output,
44 const char *file, const int line);
45 //__attribute__ ((__return__));
46
47double ask_value(const char *text);
48bool check_bounds(double *x, double *cell_size);
49void bound(double *b, double lower_bound, double upper_bound);
50int CountLinesinFile(ifstream &InputFile);
51char *FixedDigitNumber(const int FragmentNumber, const int digits);
52bool IsValidNumber( const char *string);
53int CompareDoubles (const void * a, const void * b);
54void performCriticalExit();
55
56/********************************************** helpful template functions *********************************/
57
58
59/** returns greater of the two values.
60 * \param x first value
61 * \param y second value
62 * \return greater of the two (by operator>())
63 */
64template <typename T> T Max(T x, T y)
65{
66 if (x > y)
67 return x;
68 else return y;
69};
70
71/** returns smaller of the two values.
72 * \param x first value
73 * \param y second value
74 * \return smaller of the two (by operator<())
75 */
76template <typename T> T Min(T x, T y)
77{
78 if (x < y)
79 return x;
80 else return y;
81};
82
83/** Creates a lookup table for true father's Atom::Nr -> atom ptr.
84 * \param *start begin of chain list
85 * \paran *end end of chain list
86 * \param **Lookuptable pointer to return allocated lookup table (should be NULL on start)
87 * \param count optional predetermined size for table (otherwise we set the count to highest true father id)
88 * \return true - success, false - failure
89 */
90template <typename T> bool CreateFatherLookupTable(T *start, T *end, T **&LookupTable, int count = 0)
91{
92 bool status = true;
93 T *Walker = NULL;
94 int AtomNo;
95
96 if (LookupTable != NULL) {
97 DoeLog(0) && (eLog() << Verbose(0) << "Pointer for Lookup table is not NULL! Aborting ..." <<endl);
98 return false;
99 }
100
101 // count them
102 if (count == 0) {
103 Walker = start;
104 while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
105 Walker = Walker->next;
106 count = (count < Walker->GetTrueFather()->nr) ? Walker->GetTrueFather()->nr : count;
107 }
108 }
109 if (count <= 0) {
110 DoeLog(1) && (eLog() << Verbose(1) << "Count of lookup list is 0 or less." << endl);
111 return false;
112 }
113
114 // allocate and fill
115 LookupTable = new T*[count];
116 if (LookupTable == NULL) {
117 DoeLog(0) && (eLog()<< Verbose(0) << "LookupTable memory allocation failed!" << endl);
118 performCriticalExit();
119 status = false;
120 } else {
121 Walker = start;
122 while (Walker->next != end) { // create a lookup table (Atom::nr -> atom) used as a marker table lateron
123 Walker = Walker->next;
124 AtomNo = Walker->GetTrueFather()->nr;
125 if ((AtomNo >= 0) && (AtomNo < count)) {
126 //*out << "Setting LookupTable[" << AtomNo << "] to " << *Walker << endl;
127 LookupTable[AtomNo] = Walker;
128 } else {
129 DoeLog(2) && (eLog() << Verbose(2) << "Walker " << *Walker << " exceeded range of nuclear ids [0, " << count << ")." << endl);
130 status = false;
131 break;
132 }
133 }
134 }
135
136 return status;
137};
138
139
140/** Frees a two-dimensional array.
141 * \param *ptr pointer to array
142 * \param dim first dim of array
143 */
144template <typename X> void Free2DArray(X **ptr, int dim)
145{
146 int i;
147 if (ptr != NULL) {
148 for(i=dim;i--;)
149 if (ptr[i] != NULL)
150 free(ptr[i]);
151 free(ptr);
152 }
153};
154
155template <typename T> void Increment(T *value, T *inc)
156{
157 *value += *inc;
158};
159
160template <typename T> void AbsoluteValue(T *value, T *abs)
161{
162 *value = *abs;
163};
164
165template <typename T> void IncrementalAbsoluteValue(T *value, T *abs)
166{
167 *value = *abs;
168 (*abs) += 1;
169};
170
171#define PLURAL_S(v) (((v)==1)?"":"s")
172
173// this is to allow different modes of access for
174// maps and sets
175template<typename Res,typename T>
176struct _take{
177 Res get(T value) const;
178};
179
180// if we have a set,vector etc we can directly access the result
181template<typename Res>
182struct _take<Res,Res>{
183 static inline Res get(Res value){
184 return value;
185 }
186};
187
188// if we have a map we have to access the second part of
189// the pair
190template<typename Res,typename T1>
191struct _take<Res,std::pair<T1,Res> >{
192 static inline Res get(std::pair<T1,Res> value){
193 return value.second;
194 }
195};
196
197#endif /*HELPERS_HPP_*/
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