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 23359f was bcf653, checked in by Frederik Heber <heber@…>, 14 years ago |
Added copyright note to each .cpp file and an extensive one to builder.cpp.
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100644
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File size:
2.2 KB
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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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