source: src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp@ 9964ff

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 9964ff was 0275ad, checked in by Frederik Heber <heber@…>, 14 years ago

Final step in Random numbers is done ...

  • Property mode set to 100644
File size: 4.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * SetRandomNumbersDistribution.cpp
10 *
11 * Created on: Jan 01, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "CodePatterns/Log.hpp"
23#include "molecule.hpp"
24#include "CodePatterns/Verbose.hpp"
25#include "World.hpp"
26
27#include "RandomNumbers/RandomNumberDistributionFactory.hpp"
28#include "RandomNumbers/RandomNumberDistribution.hpp"
29#include "RandomNumbers/RandomNumberDistribution_Parameters.hpp"
30
31#include <iostream>
32#include <fstream>
33#include <string>
34
35using namespace std;
36
37#include "SetRandomNumbersDistributionAction.hpp"
38
39// and construct the stuff
40#include "SetRandomNumbersDistributionAction.def"
41#include "Action_impl_pre.hpp"
42/** =========== define the function ====================== */
43Action::state_ptr CommandSetRandomNumbersDistributionAction::performCall() {
44 // obtain information
45 getParametersfromValueStorage();
46
47 // note down old type
48 std::string oldtype = RandomNumberDistributionFactory::getInstance().getCurrentTypeName();
49 DoLog(1) && (Log() << Verbose(1) << "Current distribution is " << oldtype << std::endl);
50
51 // set the new default
52 RandomNumberDistributionFactory::getInstance().setCurrentType(params.distribution_type);
53 DoLog(0) && (Log() << Verbose(0) << "Distribution of random number generator is now: "
54 << RandomNumberDistributionFactory::getInstance().getCurrentTypeName() << std::endl);
55
56 // note down old parameters
57 RandomNumberDistribution_Parameters *oldparameters =
58 RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
59 // set each parameter (that is not -1);
60 if (!params.parameters.isDefault()) {
61 RandomNumberDistribution_Parameters *oldparameters =
62 RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
63 oldparameters->update(params.parameters);
64 DoLog(1) && (Log() << Verbose(1) << "Changing prototype's parameters to "
65 << params.parameters << "." << std::endl);
66 RandomNumberDistributionFactory::getInstance().manipulatePrototype(*oldparameters);
67 }
68
69 {
70 RandomNumberDistribution_Parameters *currentparameters =
71 RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
72 DoLog(1) && (Log() << Verbose(1) << "Its parameters are: " << *currentparameters << std::endl);
73 delete currentparameters;
74 }
75
76 CommandSetRandomNumbersDistributionState *newstate =
77 new CommandSetRandomNumbersDistributionState(oldtype,*oldparameters,params);
78 delete oldparameters;
79 return Action::state_ptr(newstate);
80}
81
82Action::state_ptr CommandSetRandomNumbersDistributionAction::performUndo(Action::state_ptr _state) {
83 CommandSetRandomNumbersDistributionState *state = assert_cast<CommandSetRandomNumbersDistributionState*>(_state.get());
84
85 // note down old type for redo
86 std::string newtype = RandomNumberDistributionFactory::getInstance().getCurrentTypeName();
87 DoLog(1) && (Log() << Verbose(1) << "Newly set distribution was " << newtype << std::endl);
88
89 // note down old parameters for redo
90 RandomNumberDistribution_Parameters *newparameters =
91 RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
92
93 // set the new default
94 RandomNumberDistributionFactory::getInstance().setCurrentType(state->old_distribution_type);
95 DoLog(0) && (Log() << Verbose(0) << "Distribution of random number generator is again: "
96 << RandomNumberDistributionFactory::getInstance().getCurrentTypeName() << std::endl);
97
98 // set each parameter back (that is not -1);
99 if (!state->old_parameters.isDefault()) {
100 DoLog(1) && (Log() << Verbose(1) << "Changing back prototype's parameters to "
101 << state->old_parameters << "." << std::endl);
102 RandomNumberDistributionFactory::getInstance().manipulatePrototype(state->old_parameters);
103 }
104
105 {
106 RandomNumberDistribution_Parameters *currentparameters =
107 RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
108 DoLog(1) && (Log() << Verbose(1) << "Its parameters are: " << *currentparameters << std::endl);
109 delete currentparameters;
110 }
111
112 CommandSetRandomNumbersDistributionState *newstate =
113 new CommandSetRandomNumbersDistributionState(newtype,*newparameters,params);
114 delete newparameters;
115 return Action::state_ptr(newstate);
116}
117
118Action::state_ptr CommandSetRandomNumbersDistributionAction::performRedo(Action::state_ptr _state){
119 return performUndo(_state);
120}
121
122bool CommandSetRandomNumbersDistributionAction::canUndo() {
123 return true;
124}
125
126bool CommandSetRandomNumbersDistributionAction::shouldUndo() {
127 return true;
128}
129/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.