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
        Candidate_v1.7.0
        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 51c3e4 was             bcf653, checked in by Frederik Heber <heber@…>, 15 years ago | 
        
          | 
Added copyright note to each .cpp file and an extensive one to builder.cpp.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            2.2 KB | 
      
      
| Line |  | 
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| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010 University of Bonn. All rights reserved. | 
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | /* | 
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| 9 | * Process.cpp | 
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| 10 | * | 
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| 11 | *  Created on: Feb 17, 2010 | 
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| 12 | *      Author: crueger | 
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| 13 | */ | 
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| 14 |  | 
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| 15 | // include config.h | 
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| 16 | #ifdef HAVE_CONFIG_H | 
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| 17 | #include <config.h> | 
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| 18 | #endif | 
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| 19 |  | 
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| 20 | #include "Helpers/MemDebug.hpp" | 
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| 21 |  | 
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| 22 | #include "Process.hpp" | 
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| 23 |  | 
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| 24 | using namespace std; | 
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| 25 |  | 
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| 26 | Process::Process(int _maxSteps, std::string _name, bool _doRegister) : | 
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| 27 | Action(_name,_doRegister), | 
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| 28 | Observable("Process"), | 
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| 29 | maxSteps(_maxSteps), | 
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| 30 | active(false), | 
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| 31 | starts(false), | 
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| 32 | stops(false) | 
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| 33 | {} | 
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| 34 |  | 
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| 35 | Process::~Process() | 
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| 36 | { | 
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| 37 | // make sure everybody knows we have stoped | 
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| 38 | stop(); | 
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| 39 | } | 
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| 40 |  | 
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| 41 |  | 
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| 42 | bool Process::isRunning(){ | 
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| 43 | return active; | 
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| 44 | } | 
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| 45 |  | 
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| 46 | bool Process::doesStart(){ | 
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| 47 | return starts; | 
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| 48 | } | 
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| 49 |  | 
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| 50 | bool Process::doesStop(){ | 
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| 51 | return stops; | 
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| 52 | } | 
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| 53 |  | 
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| 54 | int Process::getCurrStep(){ | 
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| 55 | return currStep; | 
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| 56 | } | 
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| 57 |  | 
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| 58 | void Process::setCurrStep(int _currStep){ | 
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| 59 | OBSERVE; | 
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| 60 | currStep = _currStep; | 
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| 61 | } | 
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| 62 |  | 
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| 63 | float Process::getDoneRatio() { | 
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| 64 | if(getMaxSteps()) | 
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| 65 | return ((float)getCurrStep()/(float)getMaxSteps())*100.0; | 
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| 66 | else | 
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| 67 | return 0; | 
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| 68 | } | 
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| 69 | int Process::getMaxSteps(){ | 
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| 70 | return maxSteps; | 
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| 71 | } | 
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| 72 |  | 
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| 73 | void Process::setMaxSteps(int _maxSteps){ | 
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| 74 | maxSteps = _maxSteps; | 
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| 75 | } | 
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| 76 |  | 
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| 77 | void Process::start(){ | 
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| 78 | starts = true; | 
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| 79 | { | 
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| 80 | // we forcibly sign on all observers | 
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| 81 | set<Observer*>::iterator iter; | 
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| 82 | for(iter=processObservers.begin();iter!=processObservers.end();++iter){ | 
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| 83 | this->signOn((*iter)); | 
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| 84 | } | 
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| 85 | } | 
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| 86 | // only this small part should be observed | 
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| 87 | { | 
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| 88 | OBSERVE; | 
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| 89 | currStep=0; | 
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| 90 | } | 
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| 91 | starts = false; | 
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| 92 | active = true; | 
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| 93 | } | 
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| 94 |  | 
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| 95 | void Process::step(){ | 
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| 96 | OBSERVE; | 
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| 97 | currStep++; | 
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| 98 | } | 
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| 99 |  | 
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| 100 | void Process::stop(){ | 
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| 101 | active=false; | 
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| 102 | stops = true; | 
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| 103 | { | 
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| 104 | OBSERVE; | 
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| 105 | currStep=0; | 
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| 106 | } | 
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| 107 | { | 
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| 108 | // when we are done we forcibly sign off all observers | 
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| 109 | set<Observer*>::iterator iter; | 
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| 110 | for(iter=processObservers.begin();iter!=processObservers.end();++iter){ | 
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| 111 | this->signOff((*iter)); | 
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| 112 | } | 
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| 113 | } | 
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| 114 | stops = false; | 
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| 115 | } | 
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| 116 |  | 
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| 117 | // static stuff | 
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| 118 |  | 
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| 119 | set<Observer*> Process::processObservers; | 
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| 120 |  | 
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| 121 | void Process::AddObserver(Observer *obs){ | 
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| 122 | processObservers.insert(obs); | 
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| 123 | } | 
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| 124 | void Process::RemoveObserver(Observer *obs){ | 
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| 125 | processObservers.erase(obs); | 
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| 126 | } | 
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| 127 |  | 
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