[bcf653] | 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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[bcf653] | 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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[97ebf8] | 8 | /*
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| 9 | * SuspendInWaterAction.cpp
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| 10 | *
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| 11 | * Created on: May 12, 2010
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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[bf3817] | 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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[112b09] | 21 |
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[ad011c] | 22 | #include "CodePatterns/Log.hpp"
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[41a467] | 23 | #include "Tesselation/boundary.hpp"
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[1a3c26] | 24 | #include "World.hpp"
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[97ebf8] | 25 |
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| 26 | #include <iostream>
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| 27 | #include <string>
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| 28 |
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[1fd675] | 29 | #include "Actions/MoleculeAction/SuspendInWaterAction.hpp"
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[b9b26b] | 30 |
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[41a467] | 31 | class config;
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| 32 |
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[ce7fdc] | 33 | using namespace MoleCuilder;
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| 34 |
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[1fd675] | 35 | // and construct the stuff
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| 36 | #include "SuspendInWaterAction.def"
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| 37 | #include "Action_impl_pre.hpp"
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| 38 | /** =========== define the function ====================== */
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[97ebf8] | 39 | Action::state_ptr MoleculeSuspendInWaterAction::performCall() {
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| 40 | molecule *mol = NULL;
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| 41 | double volume = 0.;
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| 42 |
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[b9b26b] | 43 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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| 44 | mol = iter->second;
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[47d041] | 45 | LOG(0, "Evaluating necessary cell volume for a cluster suspended in water.");
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[1fd675] | 46 | if (params.density < 1.0) {
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[47d041] | 47 | ELOG(1, "Density must be greater than 1.0g/cm^3!");
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[97ebf8] | 48 | } else {
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[1fd675] | 49 | PrepareClustersinWater(World::getInstance().getConfig(), mol, volume, params.density); // if volume == 0, will calculate from ConvexEnvelope
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[97ebf8] | 50 | }
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| 51 | }
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[b9b26b] | 52 | return Action::success;
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[97ebf8] | 53 | }
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| 54 |
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| 55 | Action::state_ptr MoleculeSuspendInWaterAction::performUndo(Action::state_ptr _state) {
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| 56 | // MoleculeSuspendInWaterState *state = assert_cast<MoleculeSuspendInWaterState*>(_state.get());
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| 57 |
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| 58 | // string newName = state->mol->getName();
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| 59 | // state->mol->setName(state->lastName);
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| 60 |
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| 61 | return Action::failure;
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| 62 | }
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| 63 |
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| 64 | Action::state_ptr MoleculeSuspendInWaterAction::performRedo(Action::state_ptr _state){
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| 65 | // Undo and redo have to do the same for this action
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| 66 | return performUndo(_state);
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| 67 | }
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| 68 |
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| 69 | bool MoleculeSuspendInWaterAction::canUndo() {
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| 70 | return false;
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| 71 | }
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| 72 |
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| 73 | bool MoleculeSuspendInWaterAction::shouldUndo() {
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| 74 | return false;
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| 75 | }
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[1fd675] | 76 | /** =========== end of function ====================== */
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