[f89b45] | 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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[f89b45] | 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 | * CalculateBoundingBoxAction.cpp
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| 10 | *
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| 11 | * Created on: Nov 02, 2011
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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 "CodePatterns/Log.hpp"
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| 23 |
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| 24 | #include "Box.hpp"
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| 25 | #include "CodePatterns/Assert.hpp"
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| 26 | #include "LinearAlgebra/Plane.hpp"
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| 27 | #include <vector>
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| 28 | #include <utility>
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| 29 | #include "World.hpp"
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| 30 |
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| 31 | #include <iostream>
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| 32 | #include <string>
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| 33 |
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| 34 | #include "CalculateBoundingBoxAction.hpp"
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| 35 |
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| 36 | using namespace MoleCuilder;
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| 37 |
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| 38 | // and construct the stuff
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| 39 | #include "CalculateBoundingBoxAction.def"
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| 40 | #include "Reaction_impl_pre.hpp"
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| 41 |
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| 42 | #include "Reaction_impl.hpp"
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| 43 |
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| 44 | /** =========== define the function ====================== */
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| 45 | doubleVec * AnalysisCalculateBoundingBoxAction::doCalc() {
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| 46 | typedef std::pair<Plane,Plane> PairOfPlanes;
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| 47 | typedef std::vector<PairOfPlanes> PairOfPlanesVector;
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| 48 | const PairOfPlanesVector planes = World::getInstance().getDomain().getBoundingPlanes();
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| 49 | doubleVec returnvalues;
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| 50 | for (PairOfPlanesVector::const_iterator iter = planes.begin();
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| 51 | iter != planes.end(); ++iter) {
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| 52 | returnvalues.push_back(fabs(iter->first.getOffset()));
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| 53 | returnvalues.push_back(fabs(iter->second.getOffset()));
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| 54 | }
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| 55 | ASSERT( returnvalues.size() == (size_t)6,
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| 56 | "AnalysisCalculateBoundingBoxAction::doCalc() - returnvalues should be of length 6 but is "
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| 57 | +toString(returnvalues.size())+".");
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| 58 |
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| 59 | LOG(0, "RESULT: The current bounding box is " << returnvalues << ".");
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| 60 |
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| 61 | return (new doubleVec(returnvalues));
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| 62 | }
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| 63 | /** =========== end of function ====================== */
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