| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [22b786] | 4 | * Copyright (C)  2013 University of Bonn. All rights reserved. | 
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| [5aaa43] | 5 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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| [94d5ac6] | 6 | * | 
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|  | 7 | * | 
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|  | 8 | *   This file is part of MoleCuilder. | 
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|  | 9 | * | 
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|  | 10 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 11 | *    it under the terms of the GNU General Public License as published by | 
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|  | 12 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 13 | *    (at your option) any later version. | 
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|  | 14 | * | 
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|  | 15 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 16 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 17 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 18 | *    GNU General Public License for more details. | 
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|  | 19 | * | 
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|  | 20 | *    You should have received a copy of the GNU General Public License | 
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|  | 21 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [bcf653] | 22 | */ | 
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|  | 23 |  | 
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| [97ebf8] | 24 | /* | 
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|  | 25 | * SubgraphDissectionAction.cpp | 
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|  | 26 | * | 
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| [22b786] | 27 | *  Created on: Mar 1, 2013 | 
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| [97ebf8] | 28 | *      Author: heber | 
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|  | 29 | */ | 
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|  | 30 |  | 
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| [bf3817] | 31 | // include config.h | 
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|  | 32 | #ifdef HAVE_CONFIG_H | 
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|  | 33 | #include <config.h> | 
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|  | 34 | #endif | 
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|  | 35 |  | 
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| [ad011c] | 36 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 37 |  | 
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| [22b786] | 38 | #include "CodePatterns/Chronos.hpp" | 
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| [d74077] | 39 |  | 
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| [22b786] | 40 | #include "Actions/GraphAction/CreateAdjacencyAction.hpp" | 
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|  | 41 | #include "Actions/GraphAction/DestroyAdjacencyAction.hpp" | 
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|  | 42 | #include "Actions/GraphAction/UpdateMoleculesAction.hpp" | 
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|  | 43 | #include "Actions/GraphAction/SubgraphDissectionAction.hpp" | 
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|  | 44 | #include "Actions/ActionRegistry.hpp" | 
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| [97ebf8] | 45 |  | 
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| [22b786] | 46 | #include "Descriptors/AtomDescriptor.hpp" | 
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| [97ebf8] | 47 |  | 
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| [22b786] | 48 | #include "SubgraphDissectionAction.def" | 
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| [faa1c9] | 49 |  | 
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| [22b786] | 50 | // some derived names: if CATEGORY is not given, we don't prefix with it | 
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|  | 51 | #ifdef CATEGORY | 
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|  | 52 | #define ACTION BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Action)) | 
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|  | 53 | #define COMMAND BOOST_PP_CAT(CATEGORY, ACTIONNAME) | 
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|  | 54 | #define PARAMS BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters)) | 
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|  | 55 | #else | 
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|  | 56 | #define ACTION BOOST_PP_CAT(ACTIONNAME, Action) | 
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|  | 57 | #define COMMAND ACTIONNAME | 
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|  | 58 | #define PARAMS BOOST_PP_CAT(ACTIONNAME, Parameters) | 
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|  | 59 | #endif | 
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|  | 60 | // check if no lists given | 
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|  | 61 | #ifndef paramtypes | 
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|  | 62 | #define MAXPARAMTYPES 0 | 
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|  | 63 | #else | 
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|  | 64 | #define MAXPARAMTYPES BOOST_PP_SEQ_SIZE(paramtypes) | 
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|  | 65 | #endif | 
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|  | 66 | #ifndef paramdefaults | 
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|  | 67 | #define MAXPARAMDEFAULTS 0 | 
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|  | 68 | #else | 
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|  | 69 | #define MAXPARAMDEFAULTS BOOST_PP_SEQ_SIZE(paramdefaults) | 
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|  | 70 | #endif | 
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| [1015fd] | 71 |  | 
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| [22b786] | 72 | namespace MoleCuilder { | 
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| [ce7fdc] | 73 |  | 
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| [22b786] | 74 | // static instances | 
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|  | 75 | ActionSequence GraphSubgraphDissectionAction::actions; | 
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|  | 76 | bool GraphSubgraphDissectionAction::isPrepared = false; | 
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|  | 77 |  | 
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|  | 78 | GraphSubgraphDissectionAction::GraphSubgraphDissectionAction() : | 
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|  | 79 | MakroAction(ActionTraits< GraphSubgraphDissectionAction >(), actions, false) | 
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|  | 80 | {} | 
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|  | 81 |  | 
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|  | 82 | GraphSubgraphDissectionAction::~GraphSubgraphDissectionAction() | 
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|  | 83 | {} | 
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|  | 84 |  | 
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|  | 85 | void GraphSubgraphDissectionAction::prepare(ActionRegistry &AR) | 
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|  | 86 | { | 
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|  | 87 | actions.addAction(AR.getActionByName(std::string("destroy-adjacency"))); | 
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|  | 88 | actions.addAction(AR.getActionByName(std::string("create-adjacency"))); | 
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|  | 89 | actions.addAction(AR.getActionByName(std::string("update-molecules"))); | 
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|  | 90 | isPrepared = true; | 
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|  | 91 | } | 
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|  | 92 |  | 
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|  | 93 | void GraphSubgraphDissectionAction::unprepare(ActionRegistry &AR) | 
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|  | 94 | { | 
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|  | 95 | // empty sequence | 
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|  | 96 | while (actions.removeLastAction() != NULL); | 
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|  | 97 | isPrepared = false; | 
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|  | 98 | } | 
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|  | 99 |  | 
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|  | 100 | void reselectAtoms(const std::vector<atom *> &selected_atoms) | 
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|  | 101 | { | 
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|  | 102 | World::getInstance().clearAtomSelection(); | 
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|  | 103 | for (std::vector<atom *>::const_iterator iter = selected_atoms.begin(); | 
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|  | 104 | iter != selected_atoms.end(); | 
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|  | 105 | ++iter) | 
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|  | 106 | World::getInstance().selectAtom(*iter); | 
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|  | 107 | } | 
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|  | 108 |  | 
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|  | 109 | Action::state_ptr GraphSubgraphDissectionAction::performCall(){ | 
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|  | 110 | // we need to "emulate" that all atoms have been selected without destroying | 
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|  | 111 | // current selection | 
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|  | 112 | Chronos::getInstance().startTiming(TOKEN); | 
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|  | 113 | const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms(); | 
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|  | 114 | World::getInstance().selectAllAtoms(AllAtoms()); | 
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|  | 115 | Action::state_ptr state(MakroAction::performCall()); | 
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|  | 116 | reselectAtoms(selected_atoms); | 
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|  | 117 | Chronos::getInstance().endTiming(TOKEN); | 
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|  | 118 |  | 
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|  | 119 | return state; | 
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| [97ebf8] | 120 | } | 
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|  | 121 |  | 
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| [d09093] | 122 | Action::state_ptr GraphSubgraphDissectionAction::performUndo(Action::state_ptr _state) { | 
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| [22b786] | 123 | // we need to "emulate" that all atoms have been selected without destroying | 
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|  | 124 | // current selection | 
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|  | 125 | const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms(); | 
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|  | 126 | World::getInstance().selectAllAtoms(AllAtoms()); | 
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|  | 127 | Action::state_ptr state(MakroAction::performUndo(_state)); | 
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|  | 128 | reselectAtoms(selected_atoms); | 
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|  | 129 |  | 
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|  | 130 | return state; | 
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| [97ebf8] | 131 | } | 
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|  | 132 |  | 
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| [d09093] | 133 | Action::state_ptr GraphSubgraphDissectionAction::performRedo(Action::state_ptr _state){ | 
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| [22b786] | 134 | // we need to "emulate" that all atoms have been selected without destroying | 
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|  | 135 | // current selection | 
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|  | 136 | const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms(); | 
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|  | 137 | World::getInstance().selectAllAtoms(AllAtoms()); | 
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|  | 138 | Action::state_ptr state(MakroAction::performRedo(_state)); | 
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|  | 139 | reselectAtoms(selected_atoms); | 
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|  | 140 |  | 
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|  | 141 | return state; | 
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| [97ebf8] | 142 | } | 
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|  | 143 |  | 
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| [22b786] | 144 | // =========== command for calling action directly =========== | 
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|  | 145 | void COMMAND( | 
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|  | 146 | #if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0) | 
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|  | 147 | #define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, paramtypes, paramreferences) | 
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|  | 148 | #define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1) | 
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|  | 149 | #include BOOST_PP_LOCAL_ITERATE() | 
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|  | 150 | #endif | 
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|  | 151 | ) | 
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|  | 152 | { | 
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|  | 153 | ACTION *ToCall = dynamic_cast<ACTION*>(ActionRegistry::getInstance().getActionByName( TOKEN )); //->clone(params); | 
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|  | 154 | //ACTION::PARAMS params; | 
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|  | 155 | #if defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0) | 
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|  | 156 | #define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, paramreferences, ToCall->params.) | 
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|  | 157 | #define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1) | 
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|  | 158 | #include BOOST_PP_LOCAL_ITERATE() | 
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|  | 159 | #endif | 
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|  | 160 | ToCall->call(Action::NonInteractive); | 
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|  | 161 | }; | 
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|  | 162 |  | 
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|  | 163 | void BOOST_PP_CAT( COMMAND, _stringargs)( | 
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|  | 164 | #if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0) | 
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|  | 165 | #define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, BOOST_PP_SEQ_TRANSFORM( type2string, , paramtypes), paramreferences) | 
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|  | 166 | #define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1) | 
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|  | 167 | #include BOOST_PP_LOCAL_ITERATE() | 
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|  | 168 | #endif | 
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|  | 169 | ) { | 
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|  | 170 | ACTION *ToCall = dynamic_cast<ACTION*>(ActionRegistry::getInstance().getActionByName( TOKEN )); //->clone(params); | 
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|  | 171 | //ACTION::PARAMS params; | 
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|  | 172 | #if defined paramtypes && defined paramtypes && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0) | 
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|  | 173 | #define BOOST_PP_LOCAL_MACRO(n) valuetype_print(~, n, paramreferences, paramtypes, ToCall->params. ) | 
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|  | 174 | #define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1) | 
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|  | 175 | #include BOOST_PP_LOCAL_ITERATE() | 
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|  | 176 | #endif | 
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|  | 177 | ToCall->call(MoleCuilder::Action::NonInteractive); | 
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|  | 178 | }; | 
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| [97ebf8] | 179 |  | 
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|  | 180 | } | 
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