source: src/Helpers/helpers.hpp@ 06aedc

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 06aedc was 61775a, checked in by Frederik Heber <heber@…>, 14 years ago

Removed templated CreateFatherLookupTable from helpers.hpp.

  • Property mode set to 100644
File size: 2.1 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 "Helpers/defs.hpp"
21#include "CodePatterns/Log.hpp"
22
23/********************************************** definitions *********************************/
24
25/********************************************** helpful functions *********************************/
26
27// taken out of TREMOLO
28/*@-namechecks@*/
29#ifndef __GNUC__
30# undef __attribute__
31# define __attribute__(x)
32#endif
33/*@=namechecks@*/
34
35/* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors)
36 void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung.
37 Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */
38extern void /*@exits@*/ debug(const char *output);
39 //__attribute__ ((__return__));
40#define debug(data) debug_in((data), __FILE__, __LINE__)
41
42extern void /*@exits@*/ debug_in(const char *output,
43 const char *file, const int line);
44 //__attribute__ ((__return__));
45
46typedef enum {
47 Minus = -1,
48 Zero = 0,
49 Plus = +1
50} sign_t;
51
52char *FixedDigitNumber(const int FragmentNumber, const int digits);
53void performCriticalExit();
54sign_t sign(double value);
55
56/********************************************** helpful template functions *********************************/
57
58
59#define PLURAL_S(v) (((v)==1)?"":"s")
60
61// this is to allow different modes of access for
62// maps and sets
63template<typename Res,typename T>
64struct _take{
65 Res get(T value) const;
66};
67
68// if we have a set,vector etc we can directly access the result
69template<typename Res>
70struct _take<Res,Res>{
71 static inline Res get(Res value){
72 return value;
73 }
74};
75
76// if we have a map we have to access the second part of
77// the pair
78template<typename Res,typename T1>
79struct _take<Res,std::pair<T1,Res> >{
80 static inline Res get(std::pair<T1,Res> value){
81 return value.second;
82 }
83};
84
85#endif /*HELPERS_HPP_*/
Note: See TracBrowser for help on using the repository browser.