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 81c980b was ad011c, checked in by Frederik Heber <heber@…>, 14 years ago |
CodePatterns places all includes now in subfolder CodePatterns/.
- change all includes accordingly.
- this was necessary as Helpers and Patterns are not very distinctive names
for include folders. Already now, we had a conflict between Helpers from
CodePatterns and Helpers from this project.
- changed compilation test in ax_codepatterns.m4 when changing CodePatterns includes.
|
-
Property mode
set to
100644
|
File size:
2.2 KB
|
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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[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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[112b09] | 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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[e4afb4] | 26 | Process::Process(int _maxSteps, const ActionTraits &_trait, bool _doRegister) :
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| 27 | Action(_trait,_doRegister),
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[da3024] | 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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