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 f10b0c was f10b0c, checked in by Frederik Heber <heber@…>, 13 years ago |
disastrously big and ugly commit
- using new Parameter<T> classes:
- Actions
- Queries (all UIs)
- TODO:
- actions crash cause Value is unset
- no query<BoxVector>
|
-
Property mode
set to
100644
|
File size:
2.0 KB
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Rev | Line | |
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[8df74d] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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[8df74d] | 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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| 8 | /*
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| 9 | * AtomsTextQuery.cpp
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| 10 | *
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| 11 | * Created on: Oct 25, 2010
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 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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[8df74d] | 21 |
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| 22 | #include <Descriptors/AtomDescriptor.hpp>
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| 23 | #include <Descriptors/AtomIdDescriptor.hpp>
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[738ae1] | 24 | #include "TextUI/Query/TextQuery.hpp"
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[8df74d] | 25 |
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[ad011c] | 26 | #include "CodePatterns/Log.hpp"
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| 27 | #include "CodePatterns/Verbose.hpp"
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[8df74d] | 28 |
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[6f0841] | 29 | #include "Atom/atom.hpp"
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[8df74d] | 30 | #include "World.hpp"
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| 31 |
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| 32 |
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[f10b0c] | 33 | TextDialog::AtomsTextQuery::AtomsTextQuery(Parameter<std::vector<const atom *> > ¶m, std::string title, std::string _description) :
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| 34 | Dialog::AtomsQuery(param, title,_description)
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[8df74d] | 35 | {}
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| 36 |
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| 37 | TextDialog::AtomsTextQuery::~AtomsTextQuery() {}
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| 38 |
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| 39 | bool TextDialog::AtomsTextQuery::handle() {
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| 40 | int idxOfAtom=-1;
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[d754bb] | 41 | std::cout << getDescription() << ": ";
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[8df74d] | 42 | std::string line;
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[d754bb] | 43 | getline(std::cin,line);
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[8df74d] | 44 | // dissect by " "
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| 45 | std::string::iterator olditer = line.begin();
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[f10b0c] | 46 | std::vector<const atom *> temp_atoms;
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[955b91] | 47 | for(std::string::iterator iter = line.begin(); iter != line.end(); ++iter) {
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[8df74d] | 48 | if (*iter == ' ') {
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[955b91] | 49 | std::istringstream stream(std::string(iter, olditer));
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[8df74d] | 50 | stream >> idxOfAtom;
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| 51 | temp = World::getInstance().getAtom(AtomById(idxOfAtom));
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| 52 | if(!temp && idxOfAtom!=-1){
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[d754bb] | 53 | std::cout << "Invalid Atom Index" << idxOfAtom << std::endl;
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[8df74d] | 54 | break;
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| 55 | }
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[f10b0c] | 56 | temp_atoms.push_back(temp);
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[8df74d] | 57 | olditer = iter;
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| 58 | }
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| 59 | }
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| 60 | if (olditer != line.begin()) { // insert last part also
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[955b91] | 61 | std::istringstream stream(std::string(olditer, line.end()));
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[8df74d] | 62 | stream >> idxOfAtom;
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| 63 | temp = World::getInstance().getAtom(AtomById(idxOfAtom));
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| 64 | if(!temp && idxOfAtom!=-1) {
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[d754bb] | 65 | std::cout << "Invalid Atom Index" << idxOfAtom << std::endl;
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[f10b0c] | 66 | temp_atoms.push_back(temp);
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[8df74d] | 67 | }
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| 68 | }
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[f10b0c] | 69 | tmp.set(temp_atoms);
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[8df74d] | 70 |
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| 71 | return (idxOfAtom!=-1);
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| 72 | }
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| 73 |
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