| 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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| 8 | /*
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| 9 | * BondFileAction.cpp
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| 10 | *
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| 11 | * Created on: May 10, 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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| 20 | #include "CodePatterns/MemDebug.hpp"
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| 21 |
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| 22 | #include "Graph/BondGraph.hpp"
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| 23 | #include "CodePatterns/Log.hpp"
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| 24 | #include "molecule.hpp"
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| 25 | #include "CodePatterns/Verbose.hpp"
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| 26 | #include "World.hpp"
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| 27 |
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| 28 | #include <iostream>
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| 29 | #include <fstream>
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| 30 | #include <string>
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| 31 |
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| 32 | #include "Actions/MoleculeAction/BondFileAction.hpp"
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| 33 |
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| 34 | using namespace MoleCuilder;
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| 35 |
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| 36 | // and construct the stuff
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| 37 | #include "BondFileAction.def"
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| 38 | #include "Action_impl_pre.hpp"
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| 39 | /** =========== define the function ====================== */
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| 40 | Action::state_ptr MoleculeBondFileAction::performCall() {
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| 41 | molecule *mol = NULL;
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| 42 |
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| 43 | // obtain information
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| 44 | getParametersfromValueStorage();
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| 45 |
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| 46 | if(World::getInstance().countSelectedMolecules() == 1) {
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| 47 | mol = World::getInstance().beginMoleculeSelection()->second;
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| 48 | LOG(0, "STATUS: Parsing bonds from " << params.bondfile
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| 49 | << ", skipping " << params.skiplines << "lines"
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| 50 | << ", adding " << params.id_offset << " to each id.");
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| 51 | ifstream input(params.bondfile.string().c_str());
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| 52 | World::AtomComposite Set = mol->getAtomSet();
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| 53 | World::getInstance().getBondGraph()->CreateAdjacencyListFromDbondFile(Set, &input, params.skiplines, params.id_offset);
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| 54 | input.close();
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| 55 | mol->getBondCount();
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| 56 | return Action::success;
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| 57 | } else
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| 58 | return Action::failure;
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| 59 | }
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| 60 |
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| 61 | Action::state_ptr MoleculeBondFileAction::performUndo(Action::state_ptr _state) {
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| 62 | // MoleculeBondFileState *state = assert_cast<MoleculeBondFileState*>(_state.get());
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| 63 |
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| 64 | // string newName = state->mol->getName();
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| 65 | // state->mol->setName(state->lastName);
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| 66 |
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| 67 | return Action::failure;
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| 68 | }
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| 69 |
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| 70 | Action::state_ptr MoleculeBondFileAction::performRedo(Action::state_ptr _state){
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| 71 | return Action::failure;
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| 72 | }
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| 73 |
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| 74 | bool MoleculeBondFileAction::canUndo() {
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| 75 | return true;
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| 76 | }
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| 77 |
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| 78 | bool MoleculeBondFileAction::shouldUndo() {
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| 79 | return true;
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| 80 | }
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| 81 | /** =========== end of function ====================== */
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