Action_Thermostats
        Add_AtomRandomPerturbation
        Add_RotateAroundBondAction
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.0
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChangeBugEmailaddress
        ChangingTestPorts
        ChemicalSpaceEvaluator
        Debian_Package_split
        Debian_package_split_molecuildergui_only
        Disabling_MemDebug
        Docu_Python_wait
        EmpiricalPotential_contain_HomologyGraph_documentation
        Enable_parallel_make_install
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        FitPartialCharges_GlobalError
        Fix_ChronosMutex
        Fix_StatusMsg
        Fix_StepWorldTime_single_argument
        Fix_Verbose_Codepatterns
        ForceAnnealing_goodresults
        ForceAnnealing_oldresults
        ForceAnnealing_tocheck
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        GeometryObjects
        Gui_displays_atomic_force_velocity
        IndependentFragmentGrids_IntegrationTest
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        JobMarket_unresolvable_hostname_fix
        PartialCharges_OrthogonalSummation
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        RotateToPrincipalAxisSystem_UndoRedo
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        Ubuntu_1604_changes
        stable
      
      
        
          | Last change
 on this file since 0ee9cb3 was             795c0f, checked in by Frederik Heber <heber@…>, 10 years ago | 
        
          | 
World::getAtoms() now has const versions as well.
 this in turn required to adapt all AtomDescriptors and some fixes, e.g.
predicate is now const member and works on const atom ptr.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.8 KB | 
      
      
| Line |  | 
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| 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)  2010-2012 University of Bonn. All rights reserved. | 
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| 5 | * | 
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| 6 | * | 
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| 7 | *   This file is part of MoleCuilder. | 
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| 8 | * | 
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| 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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| 10 | *    it under the terms of the GNU General Public License as published by | 
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| 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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| 12 | *    (at your option) any later version. | 
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| 13 | * | 
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| 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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| 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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| 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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| 17 | *    GNU General Public License for more details. | 
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| 18 | * | 
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| 19 | *    You should have received a copy of the GNU General Public License | 
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| 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| 21 | */ | 
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| 22 |  | 
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| 23 | /* | 
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| 24 | * AtomTypeDescriptor_impl.cpp | 
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| 25 | * | 
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| 26 | *  Created on: Feb 25, 2010 | 
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| 27 | *      Author: crueger | 
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| 28 | */ | 
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| 29 |  | 
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| 30 | // include config.h | 
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| 31 | #ifdef HAVE_CONFIG_H | 
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| 32 | #include <config.h> | 
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| 33 | #endif | 
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| 34 |  | 
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| 35 | #include "CodePatterns/MemDebug.hpp" | 
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| 36 |  | 
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| 37 | #include "Descriptors/AtomTypeDescriptor.hpp" | 
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| 38 | #include "Descriptors/AtomTypeDescriptor_impl.hpp" | 
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| 39 |  | 
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| 40 | #include "Atom/atom.hpp" | 
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| 41 | #include "World.hpp" | 
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| 42 | #include "Element/periodentafel.hpp" | 
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| 43 |  | 
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| 44 | AtomTypeDescriptor_impl::AtomTypeDescriptor_impl(const element* _type) : | 
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| 45 | type(_type) | 
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| 46 | {} | 
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| 47 |  | 
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| 48 | AtomTypeDescriptor_impl::~AtomTypeDescriptor_impl() | 
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| 49 | {} | 
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| 50 |  | 
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| 51 | bool AtomTypeDescriptor_impl::predicate(std::pair<atomId_t,const atom*> atom) const { | 
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| 52 | return (atom.second->getType()==type); | 
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| 53 | } | 
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| 54 |  | 
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| 55 | AtomDescriptor AtomByType(const element *elem){ | 
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| 56 | return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomTypeDescriptor_impl(elem))); | 
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| 57 | } | 
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| 58 |  | 
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| 59 | AtomDescriptor AtomByType(int Z){ | 
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| 60 | const element * elem = World::getInstance().getPeriode()->FindElement(Z); | 
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| 61 | return AtomByType(elem); | 
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| 62 | } | 
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