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 aa6c75 was             d103d3, checked in by Frederik Heber <heber@…>, 14 years ago           | 
        
        
          | 
             
Added additional check in CodeCheck's project disclaimer for current year in copyright. 
 
- had to modify all .cpp files to update to 2011.
  
           | 
        
        
          
            
              - 
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)  2010-2011 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 "CodePatterns/MemDebug.hpp"
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| 21 | 
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| 22 | #include <set>
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| 23 | 
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| 24 | #include "Process.hpp"
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| 25 | 
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| 26 | using namespace MoleCuilder;
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| 27 | 
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| 28 | Process::Process(int _maxSteps, const ActionTrait &_trait, bool _doRegister) :
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| 29 |   Action(_trait,_doRegister),
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| 30 |   Observable("Process"),
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| 31 |   maxSteps(_maxSteps),
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| 32 |   active(false),
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| 33 |   starts(false),
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| 34 |   stops(false)
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| 35 | {}
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| 36 | 
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| 37 | Process::~Process()
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| 38 | {
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| 39 |   // make sure everybody knows we have stoped
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| 40 |   stop();
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| 41 | }
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| 42 | 
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| 43 | 
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| 44 | bool Process::isRunning(){
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| 45 |   return active;
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| 46 | }
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| 47 | 
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| 48 | bool Process::doesStart(){
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| 49 |   return starts;
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| 50 | }
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| 51 | 
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| 52 | bool Process::doesStop(){
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| 53 |   return stops;
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| 54 | }
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| 55 | 
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| 56 | int Process::getCurrStep(){
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| 57 |   return currStep;
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| 58 | }
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| 59 | 
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| 60 | void Process::setCurrStep(int _currStep){
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| 61 |   OBSERVE;
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| 62 |   currStep = _currStep;
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| 63 | }
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| 64 | 
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| 65 | float Process::getDoneRatio() {
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| 66 |   if(getMaxSteps())
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| 67 |     return ((float)getCurrStep()/(float)getMaxSteps())*100.0;
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| 68 |   else
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| 69 |     return 0;
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| 70 | }
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| 71 | int Process::getMaxSteps(){
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| 72 |   return maxSteps;
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| 73 | }
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| 74 | 
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| 75 | void Process::setMaxSteps(int _maxSteps){
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| 76 |   maxSteps = _maxSteps;
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| 77 | }
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| 78 | 
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| 79 | void Process::start(){
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| 80 |   starts = true;
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| 81 |   {
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| 82 |     // we forcibly sign on all observers
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| 83 |     std::set<Observer*>::iterator iter;
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| 84 |     for(iter=processObservers.begin();iter!=processObservers.end();++iter){
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| 85 |       this->signOn((*iter));
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| 86 |     }
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| 87 |   }
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| 88 |   // only this small part should be observed
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| 89 |   {
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| 90 |     OBSERVE;
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| 91 |     currStep=0;
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| 92 |   }
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| 93 |   starts = false;
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| 94 |   active = true;
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| 95 | }
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| 96 | 
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| 97 | void Process::step(){
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| 98 |   OBSERVE;
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| 99 |   currStep++;
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| 100 | }
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| 101 | 
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| 102 | void Process::stop(){
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| 103 |   active=false;
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| 104 |   stops = true;
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| 105 |   {
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| 106 |     OBSERVE;
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| 107 |     currStep=0;
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| 108 |   }
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| 109 |   {
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| 110 |     // when we are done we forcibly sign off all observers
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| 111 |     std::set<Observer*>::iterator iter;
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| 112 |     for(iter=processObservers.begin();iter!=processObservers.end();++iter){
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| 113 |       this->signOff((*iter));
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| 114 |     }
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| 115 |   }
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| 116 |   stops = false;
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| 117 | }
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| 118 | 
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| 119 | // static stuff
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| 120 | 
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| 121 | std::set<Observer*> Process::processObservers;
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| 122 | 
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| 123 | void Process::AddObserver(Observer *obs){
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| 124 |   processObservers.insert(obs);
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| 125 | }
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| 126 | void Process::RemoveObserver(Observer *obs){
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| 127 |   processObservers.erase(obs);
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| 128 | }
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| 129 | 
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