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 9ee38b 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. 
 
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            File size:
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| Rev | Line |   | 
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| [bcf653] | 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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| [326a43b] | 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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| [bf3817] | 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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| [112b09] | 20 | #include "Helpers/MemDebug.hpp"
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 | 21 | 
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| [326a43b] | 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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| [da3024e] | 28 |   Observable("Process"),
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| [326a43b] | 29 |   maxSteps(_maxSteps),
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| [24a5e0] | 30 |   active(false),
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| [326a43b] | 31 |   starts(false),
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| [24a5e0] | 32 |   stops(false)
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| [326a43b] | 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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| [2efa90] | 42 | bool Process::isRunning(){
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| [326a43b] | 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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| [7c4e29] | 58 | void Process::setCurrStep(int _currStep){
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| [cbf01e] | 59 |   OBSERVE;
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| [7c4e29] | 60 |   currStep = _currStep;
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 | 61 | }
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 | 62 | 
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| [326a43b] | 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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| [7c4e29] | 73 | void Process::setMaxSteps(int _maxSteps){
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 | 74 |   maxSteps = _maxSteps;
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 | 75 | }
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| [326a43b] | 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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| [dbb474] | 92 |   active = true;
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| [326a43b] | 93 | }
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| [7c4e29] | 94 | 
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| [326a43b] | 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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| [7c4e29] | 99 | 
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| [326a43b] | 100 | void Process::stop(){
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| [dbb474] | 101 |   active=false;
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| [326a43b] | 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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