source: src/Actions/Process.cpp@ 0c8056

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 0c8056 was 0c8056, checked in by Frederik Heber <heber@…>, 11 years ago

Actions now get ptr to ActionRegistry in cstor.

  • this is the last of the externally present getActionRegistry() calls.
  • also changed: Calculation, ErrorAction, ManipulateAtomsProcess, MakroAction, MethodAction, Process, Reaction. Some of these had default of doRegister but are only used with false. We removed any default value in header if set to true. However, this will cause default behavior of false (as Action has default NULL for ActionRegistry ptr).
  • purged some unnecessary ActionRegistry includes.
  • Property mode set to 100644
File size: 2.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * Process.cpp
25 *
26 * Created on: Feb 17, 2010
27 * Author: crueger
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include <set>
38
39#include "Process.hpp"
40
41using namespace MoleCuilder;
42
43Process::Process(int _maxSteps, const ActionTrait &_trait, ActionRegistry * const _AR) :
44 Action(_trait,_AR),
45 Observable("Process"),
46 maxSteps(_maxSteps),
47 active(false),
48 starts(false),
49 stops(false)
50{}
51
52Process::~Process()
53{
54 // make sure everybody knows we have stoped
55 stop();
56}
57
58
59bool Process::isRunning(){
60 return active;
61}
62
63bool Process::doesStart(){
64 return starts;
65}
66
67bool Process::doesStop(){
68 return stops;
69}
70
71int Process::getCurrStep(){
72 return currStep;
73}
74
75void Process::setCurrStep(int _currStep){
76 OBSERVE;
77 currStep = _currStep;
78}
79
80float Process::getDoneRatio() {
81 if(getMaxSteps())
82 return ((float)getCurrStep()/(float)getMaxSteps())*100.0;
83 else
84 return 0;
85}
86int Process::getMaxSteps(){
87 return maxSteps;
88}
89
90void Process::setMaxSteps(int _maxSteps){
91 maxSteps = _maxSteps;
92}
93
94void Process::start(){
95 starts = true;
96 {
97 // we forcibly sign on all observers
98 std::set<Observer*>::iterator iter;
99 for(iter=processObservers.begin();iter!=processObservers.end();++iter){
100 this->signOn((*iter));
101 }
102 }
103 // only this small part should be observed
104 {
105 OBSERVE;
106 currStep=0;
107 }
108 starts = false;
109 active = true;
110}
111
112void Process::step(){
113 OBSERVE;
114 currStep++;
115}
116
117void Process::stop(){
118 active=false;
119 stops = true;
120 {
121 OBSERVE;
122 currStep=0;
123 }
124 {
125 // when we are done we forcibly sign off all observers
126 std::set<Observer*>::iterator iter;
127 for(iter=processObservers.begin();iter!=processObservers.end();++iter){
128 this->signOff((*iter));
129 }
130 }
131 stops = false;
132}
133
134// static stuff
135
136std::set<Observer*> Process::processObservers;
137
138void Process::AddObserver(Observer *obs){
139 processObservers.insert(obs);
140}
141void Process::RemoveObserver(Observer *obs){
142 processObservers.erase(obs);
143}
144
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