source: src/Fragmentation/Mask.hpp@ dcbb5d

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 dcbb5d was ed9da4, checked in by Frederik Heber <heber@…>, 12 years ago

Replaced OrderArray and MaxArray arrays in Fragmentation::ParseOrderAtSiteFromFile().

  • Property mode set to 100644
File size: 2.0 KB
Line 
1/*
2 * Mask.hpp
3 *
4 * Created on: Sep 7, 2012
5 * Author: heber
6 */
7
8#ifndef MASK_HPP_
9#define MASK_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <set>
18
19#include "CodePatterns/Assert.hpp"
20
21#include "types.hpp"
22
23/** A Mask_t is just a set of ids such that one can use the set as a filter
24 * for any type by looking them up in the map.
25 *
26 * The interface is such that we have a bitmask for every given id. Only we
27 * store only ids associated to true.
28 */
29template <typename T>
30struct Mask_t : public std::set<T>
31{
32 /** Checks whether the bit for the given \a id is true.
33 *
34 * @param id id to check
35 * @return true - bit set, false - bit not set
36 */
37 bool isTrue(const T id) const {
38 const typename std::set<T>::const_iterator iter = std::set<T>::find(id);
39 return (iter != std::set<T>::end());
40 }
41
42 /** Checks whether the bit for the given \a id is true.
43 *
44 * @param id id to check
45 * @return true - bit set, false - bit not set
46 */
47 bool isFalse(const T id) const {
48 return (!isTrue(id));
49 }
50
51 /** Setter for the bit associated to \a id.
52 *
53 * @param id id to set to true
54 */
55 void setTrue(const T id)
56 {
57 insert(id);
58 }
59
60 /** Unsetter for the bit associated to \a id.
61 *
62 * @param id id to set to false
63 */
64 void setFalse(const T id)
65 {
66 typename std::set<T>::iterator iter = std::set<T>::find(id);
67 if (iter != std::set<T>::end())
68 erase(iter);
69 }
70
71 /** Sets bit associated to \a id to a specific boolean value.
72 *
73 * @param id id to set or unset
74 * @param value bit giving whether to set or unset
75 */
76 void setValue(const T id, bool value) {
77 if (value)
78 setTrue(id);
79 else
80 setFalse(id);
81 }
82
83 /** Use in printing the bit mask bit by bit.
84 *
85 * @param id bit to print
86 * @return "t" or "f" whether bit is set or not.
87 */
88 const char* printBit(const T id) const
89 {
90 const typename std::set<T>::const_iterator iter = std::set<T>::find(id);
91 return (iter != std::set<T>::end() ? "t" : "f");
92 }
93};
94
95
96#endif /* MASK_HPP_ */
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