Candidate_v1.7.0
        stable
      
      
        
          | Last change
 on this file since 1d9586 was             e70818, checked in by Frederik Heber <frederik.heber@…>, 5 years ago | 
        
          | 
Added getSelectedAtomPositions() python function.
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Property                 mode
 set to                 100644 | 
        
          | File size:
            1.6 KB | 
      
      
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| [ea30e6] | 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)  2020 Frederik Heber. 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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| [e70818] | 24 | * getSelectedAtomIds.cpp | 
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| [ea30e6] | 25 | * | 
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|  | 26 | *  Created on: Oct 07, 2020 | 
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|  | 27 | *      Author: heber | 
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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 "modules.hpp" | 
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|  | 38 |  | 
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|  | 39 | #include "CodePatterns/Log.hpp" | 
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|  | 40 |  | 
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|  | 41 | #include "Atom/atom.hpp" | 
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|  | 42 | #include "World.hpp" | 
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|  | 43 |  | 
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|  | 44 | #include <string> | 
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|  | 45 |  | 
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|  | 46 | /** =========== define the function ====================== */ | 
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|  | 47 | MoleCuilder::detail::atomIdVec MoleCuilder::detail::module_getSelectedAtomIds() | 
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|  | 48 | { | 
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|  | 49 | atomIdVec returnvalues; | 
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|  | 50 | for(World::AtomSelectionConstIterator iter = World::getInstance().beginAtomSelection(); | 
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|  | 51 | iter != World::getInstance().endAtomSelection(); | 
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|  | 52 | ++iter) { | 
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|  | 53 | returnvalues.push_back(iter->first); | 
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|  | 54 | } | 
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|  | 55 | return returnvalues; | 
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|  | 56 | } | 
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