source: src/Parser/FormatParser_common.cpp@ 50e4e5

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 50e4e5 was 091838, checked in by Frederik Heber <heber@…>, 13 years ago

FormatParserStorage now explicitly needs to know which formats to store automatically.

  • new functions FormatParserStorage::setOutputFormat() for giving this info.
  • FormatParserStorage::SaveAll() only calls setOstream if the format is desired.
  • FIX: FormatParser_common::FormatParser_common() forget to initialize saveStream.
  • FormatParser_common::update() only stores when saveStream is not NULL, i.e. set.
  • SetOutputFormatsAction now uses add and setOutputFormat().
  • InputAction also adds the format of the input file.

Note that this is needed to allow various output formats for BondFragments in
Fragmentation without these formats eventually also being used for the writing
of the main input file.

  • Property mode set to 100644
File size: 2.7 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 * FormatParser_common_common.cpp
10 *
11 * Created on: Mar 1, 2010
12 * Author: metzler
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 <iostream>
23
24#include "CodePatterns/Observer.hpp"
25#include "World.hpp"
26#include "ChangeTracker.hpp"
27#include "FormatParser_common.hpp"
28
29using namespace std;
30
31/**
32 * Constructor.
33 */
34FormatParser_common::FormatParser_common(FormatParser_Parameters *_parameters) :
35 Observer("FormatParser_common"),
36 saveStream(NULL)
37{
38 parameters = _parameters;
39 ChangeTracker::getInstance().signOn(this);
40 World::getInstance().signOn(this, World::getInstance().getChannel(World::AtomInserted));
41 World::getInstance().signOn(this, World::getInstance().getChannel(World::AtomRemoved));
42}
43
44/**
45 * Destructor.
46 */
47FormatParser_common::~FormatParser_common()
48{
49 ChangeTracker::getInstance().signOff(this);
50 World::getInstance().signOff(this, World::getInstance().getChannel(World::AtomInserted));
51 World::getInstance().signOff(this, World::getInstance().getChannel(World::AtomRemoved));
52 if (parameters != NULL)
53 delete parameters;
54}
55
56/**
57 * Update operation which can be invoked by the observable (which should be the
58 * change tracker here).
59 */
60void FormatParser_common::update(Observable *publisher) {
61 if (saveStream != NULL) { // only store when a saveStream is given
62 std::vector<atom *> atoms = World::getInstance().getAllAtoms();
63 save(saveStream, atoms);
64 }
65}
66
67/**
68 * With this, each format parser is informed about specific changes in the World.
69 */
70void FormatParser_common::recieveNotification(Observable *publisher, Notification_ptr notification) {
71 switch (notification->getChannelNo()) {
72 case World::AtomInserted:
73 AtomInserted(World::getInstance().lastChanged<atom>()->getId());
74 break;
75 case World::AtomRemoved:
76 AtomRemoved(World::getInstance().lastChanged<atom>()->getId());
77 break;
78 default:
79 ASSERT(0,
80 "FormatParser_common::recieveNotification() - unknown notification "
81 +toString(notification->getChannelNo())+" received.");
82 break;
83 }
84}
85
86/**
87 * The observable can tell when it dies.
88 */
89void FormatParser_common::subjectKilled(Observable *publisher) {}
90
91/**
92 * Sets the output stream for save, so the save() method can be invoked on update
93 * automatically.
94 *
95 * \param ostream where to save the World's state
96 */
97void FormatParser_common::setOstream(ostream* output) {
98 saveStream = output;
99}
Note: See TracBrowser for help on using the repository browser.