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 | * GLMoleculeObject_atom.cpp
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10 | *
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11 | * Created on: Aug 17, 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 "GLMoleculeObject_atom.hpp"
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21 |
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22 | #include <Qt3D/qglbuilder.h>
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23 | #include <Qt3D/qglscenenode.h>
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24 | #include <Qt3D/qglsphere.h>
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25 |
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26 | #include "CodePatterns/MemDebug.hpp"
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27 |
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28 | #include "CodePatterns/Assert.hpp"
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29 |
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30 | #include "element.hpp"
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31 | #include "LinearAlgebra/Vector.hpp"
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32 |
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33 |
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34 | static QGLSceneNode * createAtom(QObject *parent)
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35 | {
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36 | QGLBuilder builder;
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37 | builder << QGLSphere(0.5);
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38 | QGLSceneNode *n = builder.finalizedSceneNode();
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39 | n->setParent(parent);
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40 | return n;
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41 | }
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42 |
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43 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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44 | GLMoleculeObject(createAtom(parent), parent), _atom(atomref)
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45 | {
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46 | const Vector Position = _atom->getPosition();
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47 | const size_t elementno = _atom->getType()->getNumber();
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48 |
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49 | // set materials
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50 | QGLMaterial *elementmaterial = getMaterial(elementno);
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51 | ASSERT(elementmaterial != NULL,
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52 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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53 | setMaterial(elementmaterial);
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54 | QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
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55 | ASSERT(hovermaterial != NULL,
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56 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
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57 | setHoverMaterial(hovermaterial);
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58 |
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59 | // set position
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60 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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61 |
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62 | // set scale
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63 | setScale( _atom->getType()->getVanDerWaalsRadius());
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64 |
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65 | // set the object's id
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66 | setObjectId(_atom->getId());
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67 |
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68 | std::cout << "Created sphere at " << Position << " with elementno " << elementno << "." << endl;
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69 |
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70 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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71 | }
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72 |
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73 | void GLMoleculeObject_atom::wasClicked()
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74 | {
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75 | qDebug("GLMoleculeObject_atom: atom %d has been clicked", _atom->getId());
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76 | emit clicked(_atom->getId());
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77 | }
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