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 fa7989 was bf3817, checked in by Frederik Heber <heber@…>, 15 years ago |
Added ifdef HAVE_CONFIG and config.h include to each and every cpp file.
- is now topmost in front of MemDebug.hpp (and any other).
|
-
Property mode
set to
100644
|
File size:
1.9 KB
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Rev | Line | |
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[326a43b] | 1 | /*
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| 2 | * Process.cpp
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| 3 | *
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| 4 | * Created on: Feb 17, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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[bf3817] | 8 | // include config.h
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| 9 | #ifdef HAVE_CONFIG_H
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| 10 | #include <config.h>
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| 11 | #endif
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| 12 |
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[112b09] | 13 | #include "Helpers/MemDebug.hpp"
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| 14 |
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[326a43b] | 15 | #include "Process.hpp"
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| 16 |
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| 17 | using namespace std;
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| 18 |
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| 19 | Process::Process(int _maxSteps, std::string _name, bool _doRegister) :
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| 20 | Action(_name,_doRegister),
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[da3024] | 21 | Observable("Process"),
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[326a43b] | 22 | maxSteps(_maxSteps),
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[24a5e0] | 23 | active(false),
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[326a43b] | 24 | starts(false),
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[24a5e0] | 25 | stops(false)
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[326a43b] | 26 | {}
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| 27 |
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| 28 | Process::~Process()
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| 29 | {
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| 30 | // make sure everybody knows we have stoped
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| 31 | stop();
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| 32 | }
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| 33 |
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| 34 |
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[2efa90] | 35 | bool Process::isRunning(){
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[326a43b] | 36 | return active;
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| 37 | }
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| 38 |
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| 39 | bool Process::doesStart(){
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| 40 | return starts;
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| 41 | }
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| 42 |
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| 43 | bool Process::doesStop(){
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| 44 | return stops;
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| 45 | }
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| 46 |
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| 47 | int Process::getCurrStep(){
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| 48 | return currStep;
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| 49 | }
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| 50 |
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[7c4e29] | 51 | void Process::setCurrStep(int _currStep){
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[cbf01e] | 52 | OBSERVE;
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[7c4e29] | 53 | currStep = _currStep;
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| 54 | }
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| 55 |
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[326a43b] | 56 | float Process::getDoneRatio() {
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| 57 | if(getMaxSteps())
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| 58 | return ((float)getCurrStep()/(float)getMaxSteps())*100.0;
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| 59 | else
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| 60 | return 0;
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| 61 | }
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| 62 | int Process::getMaxSteps(){
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| 63 | return maxSteps;
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| 64 | }
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| 65 |
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[7c4e29] | 66 | void Process::setMaxSteps(int _maxSteps){
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| 67 | maxSteps = _maxSteps;
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| 68 | }
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[326a43b] | 69 |
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| 70 | void Process::start(){
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| 71 | starts = true;
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| 72 | {
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| 73 | // we forcibly sign on all observers
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| 74 | set<Observer*>::iterator iter;
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| 75 | for(iter=processObservers.begin();iter!=processObservers.end();++iter){
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| 76 | this->signOn((*iter));
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| 77 | }
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| 78 | }
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| 79 | // only this small part should be observed
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| 80 | {
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| 81 | OBSERVE;
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| 82 | currStep=0;
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| 83 | }
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| 84 | starts = false;
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[dbb474] | 85 | active = true;
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[326a43b] | 86 | }
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[7c4e29] | 87 |
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[326a43b] | 88 | void Process::step(){
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| 89 | OBSERVE;
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| 90 | currStep++;
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| 91 | }
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[7c4e29] | 92 |
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[326a43b] | 93 | void Process::stop(){
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[dbb474] | 94 | active=false;
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[326a43b] | 95 | stops = true;
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| 96 | {
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| 97 | OBSERVE;
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| 98 | currStep=0;
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| 99 | }
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| 100 | {
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| 101 | // when we are done we forcibly sign off all observers
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| 102 | set<Observer*>::iterator iter;
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| 103 | for(iter=processObservers.begin();iter!=processObservers.end();++iter){
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| 104 | this->signOff((*iter));
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| 105 | }
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| 106 | }
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| 107 | stops = false;
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| 108 | }
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| 109 |
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| 110 | // static stuff
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| 111 |
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| 112 | set<Observer*> Process::processObservers;
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| 113 |
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| 114 | void Process::AddObserver(Observer *obs){
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| 115 | processObservers.insert(obs);
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| 116 | }
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| 117 | void Process::RemoveObserver(Observer *obs){
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| 118 | processObservers.erase(obs);
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| 119 | }
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| 120 |
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