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 cd7a87 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:
1.5 KB
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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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[ab4b55] | 8 | /*
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| 9 | * FormatParser.cpp
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| 10 | *
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| 11 | * Created on: Mar 1, 2010
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| 12 | * Author: metzler
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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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[ab4b55] | 22 | #include "FormatParser.hpp"
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[9131f3] | 23 | #include <iostream>
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[ab4b55] | 24 |
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| 25 | using namespace std;
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| 26 |
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| 27 | /**
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| 28 | * Constructor.
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| 29 | */
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[cd5047] | 30 | FormatParser::FormatParser() :
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[97b825] | 31 | Observer("FormatParser"),
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| 32 | saveStream(NULL)
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[cd5047] | 33 | {
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[2f40c0e] | 34 | ChangeTracker::getInstance().signOn(this);
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[ab4b55] | 35 | }
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| 36 |
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| 37 | /**
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| 38 | * Destructor.
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| 39 | */
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| 40 | FormatParser::~FormatParser() {
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[2f40c0e] | 41 | ChangeTracker::getInstance().signOff(this);
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[ab4b55] | 42 | }
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| 43 |
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| 44 | /**
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| 45 | * Update operation which can be invoked by the observable (which should be the
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| 46 | * change tracker here).
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| 47 | */
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| 48 | void FormatParser::update(Observable *publisher) {
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| 49 | if (!saveStream) {
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[9131f3] | 50 | cerr << "Please invoke setOstream() so the parser knows where to save the World's data." << endl;
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| 51 | return;
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[ab4b55] | 52 | }
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| 53 |
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[73916f] | 54 | std::vector<atom *> atoms = World::getInstance().getAllAtoms();
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| 55 | save(saveStream, atoms);
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[ab4b55] | 56 | }
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| 57 |
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| 58 | /**
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| 59 | * The observable can tell when it dies.
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| 60 | */
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| 61 | void FormatParser::subjectKilled(Observable *publisher) {}
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| 62 |
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| 63 |
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| 64 | /**
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| 65 | * Sets the output stream for save, so the save() method can be invoked on update
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| 66 | * automatically.
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| 67 | *
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| 68 | * \param ostream where to save the World's state
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| 69 | */
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| 70 | void FormatParser::setOstream(ostream* output) {
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| 71 | saveStream = output;
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| 72 | }
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