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
| Line | |
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| 1 | /*
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| 2 | * RangeValidator_impl.hpp
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| 3 | *
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| 4 | * Created on: Apr 16, 2012
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| 5 | * Author: ankele
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| 6 | */
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| 7 |
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| 8 | #ifndef RANGEVALIDATOR_IMPL_HPP_
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| 9 | #define RANGEVALIDATOR_IMPL_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | template <class T>
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| 18 | bool RangeValidator<T>::isValid(const T & _value) const
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| 19 | {
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| 20 | bool isBefore = true;
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| 21 | bool isBeyond = true;
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| 22 | // check left boundary
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| 23 | isBefore = ValidRange.isBefore(_value);
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| 24 | // if (isBefore)
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| 25 | // LOG(0, "INFO: " << _value << " is before " << ValidRange.first << ".");
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| 26 | // check right boundary
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| 27 | isBeyond = ValidRange.isBeyond(_value) && (_value != ValidRange.last);
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| 28 | // if (isBeyond)
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| 29 | // LOG(0, "INFO: " << _value << " is beyond " << ValidRange.last << ".");
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| 30 | return (!isBefore) && (!isBeyond);
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| 31 | }
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| 32 |
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| 33 | template <class T>
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| 34 | Validator<T>* RangeValidator<T>::clone() const
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| 35 | {
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| 36 | return new RangeValidator<T>(ValidRange);
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| 37 | };
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| 38 |
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| 39 | // comparator
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| 40 | template <class T>
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| 41 | bool RangeValidator<T>::operator==(const Validator<T> &_instance) const
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| 42 | {
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| 43 | const RangeValidator<T> *inst = dynamic_cast<const RangeValidator<T> *>(&_instance);
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| 44 | if (inst)
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| 45 | return ValidRange == inst->ValidRange;
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| 46 | return false;
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| 47 | };
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| 48 |
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| 49 |
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| 50 | /** Setter for the valid range.
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| 51 | *
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| 52 | * If value is invalid in new range, we throw AssertFailure and set ValueSet to false.
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| 53 | *
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| 54 | * @param _range range (pair of values)
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| 55 | */
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| 56 | template <class T>
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| 57 | void RangeValidator<T>::setValidRange(const range<T> &_range)
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| 58 | {
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| 59 | ValidRange = _range;
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| 60 | }
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 | // specialization for Vector
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| 68 | #include "LinearAlgebra/Vector.hpp"
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| 69 |
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| 70 | class Vector;
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| 71 |
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| 72 | template <>
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| 73 | bool RangeValidator<Vector>::isValid(const Vector & _value) const
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| 74 | {
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| 75 | return ValidRange.first[0] <= _value[0] && _value[0] < ValidRange.last[0] &&
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| 76 | ValidRange.first[1] <= _value[1] && _value[1] < ValidRange.last[1] &&
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| 77 | ValidRange.first[2] <= _value[2] && _value[2] < ValidRange.last[2];
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| 78 | }
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| 79 |
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| 80 |
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| 81 | #endif /* RANGEVALIDATOR_IMPL_HPP_ */
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