1 | /*
|
---|
2 | * Project: MoleCuilder
|
---|
3 | * Description: creates and alters molecular systems
|
---|
4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
|
---|
6 | */
|
---|
7 |
|
---|
8 | /*
|
---|
9 | * GLMoleculeObject_atom.cpp
|
---|
10 | *
|
---|
11 | * Created on: Aug 17, 2011
|
---|
12 | * Author: heber
|
---|
13 | */
|
---|
14 |
|
---|
15 | // include config.h
|
---|
16 | #ifdef HAVE_CONFIG_H
|
---|
17 | #include <config.h>
|
---|
18 | #endif
|
---|
19 |
|
---|
20 | #include "GLMoleculeObject_atom.hpp"
|
---|
21 |
|
---|
22 | #include <Qt3D/qglscenenode.h>
|
---|
23 |
|
---|
24 | #include "CodePatterns/MemDebug.hpp"
|
---|
25 |
|
---|
26 | #include "CodePatterns/Assert.hpp"
|
---|
27 | #include "CodePatterns/Log.hpp"
|
---|
28 | #include "CodePatterns/Observer/Notification.hpp"
|
---|
29 |
|
---|
30 | #include "Atom/atom.hpp"
|
---|
31 | #include "Bond/bond.hpp"
|
---|
32 | #include "Descriptors/AtomIdDescriptor.hpp"
|
---|
33 | #include "Element/element.hpp"
|
---|
34 | #include "LinearAlgebra/Vector.hpp"
|
---|
35 | #include "GLMoleculeObject_bond.hpp"
|
---|
36 | #include "World.hpp"
|
---|
37 |
|
---|
38 | GLMoleculeObject_atom::GLMoleculeObject_atom(QGLSceneNode *mesh, QObject *parent, const atom *atomref) :
|
---|
39 | GLMoleculeObject(mesh, parent),
|
---|
40 | Observer(std::string("GLMoleculeObject_atom")+toString(atomref->getId())),
|
---|
41 | _atom(atomref)
|
---|
42 | {
|
---|
43 | // sign on as observer (obtain non-const instance before)
|
---|
44 | atomref->signOn(this, AtomObservable::IndexChanged);
|
---|
45 | atomref->signOn(this, AtomObservable::PositionChanged);
|
---|
46 | atomref->signOn(this, AtomObservable::ElementChanged);
|
---|
47 | atomref->signOn(this, AtomObservable::BondsAdded);
|
---|
48 | World::getInstance().signOn(this, World::SelectionChanged);
|
---|
49 |
|
---|
50 | // set the object's id
|
---|
51 | resetProperties();
|
---|
52 |
|
---|
53 | LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
|
---|
54 |
|
---|
55 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
|
---|
56 | }
|
---|
57 |
|
---|
58 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
|
---|
59 | {
|
---|
60 | if (_atom){
|
---|
61 | _atom->signOff(this, AtomObservable::IndexChanged);
|
---|
62 | _atom->signOff(this, AtomObservable::PositionChanged);
|
---|
63 | _atom->signOff(this, AtomObservable::ElementChanged);
|
---|
64 | _atom->signOff(this, AtomObservable::BondsAdded);
|
---|
65 | }
|
---|
66 | World::getInstance().signOff(this, World::SelectionChanged);
|
---|
67 | }
|
---|
68 |
|
---|
69 | void GLMoleculeObject_atom::update(Observable *publisher)
|
---|
70 | {
|
---|
71 | #ifdef LOG_OBSERVER
|
---|
72 | observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
|
---|
73 | #endif
|
---|
74 | resetProperties();
|
---|
75 | }
|
---|
76 |
|
---|
77 | void GLMoleculeObject_atom::resetPosition()
|
---|
78 | {
|
---|
79 | const Vector Position = _atom->getPosition();
|
---|
80 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
|
---|
81 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
|
---|
82 | }
|
---|
83 |
|
---|
84 | void GLMoleculeObject_atom::resetElement()
|
---|
85 | {
|
---|
86 | size_t elementno = 0;
|
---|
87 | if (_atom->getType() != NULL) {
|
---|
88 | elementno = _atom->getType()->getAtomicNumber();
|
---|
89 | } else { // if no element yet, set to hydrogen
|
---|
90 | elementno = 1;
|
---|
91 | }
|
---|
92 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
|
---|
93 |
|
---|
94 | // set materials
|
---|
95 | QGLMaterial *elementmaterial = getMaterial(elementno);
|
---|
96 | ASSERT(elementmaterial != NULL,
|
---|
97 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
|
---|
98 | setMaterial(elementmaterial);
|
---|
99 |
|
---|
100 | // set scale
|
---|
101 | double radius = 0.;
|
---|
102 | if (_atom->getType() != NULL) {
|
---|
103 | radius = _atom->getType()->getVanDerWaalsRadius();
|
---|
104 | } else {
|
---|
105 | radius = 0.5;
|
---|
106 | }
|
---|
107 | setScale( radius / 4. );
|
---|
108 | }
|
---|
109 |
|
---|
110 | void GLMoleculeObject_atom::resetIndex()
|
---|
111 | {
|
---|
112 | int oldId = objectId();
|
---|
113 | const size_t atomno = _atom->getId();
|
---|
114 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
|
---|
115 | setObjectId(atomno);
|
---|
116 |
|
---|
117 | emit indexChanged(this, oldId, atomno);
|
---|
118 | }
|
---|
119 |
|
---|
120 | void GLMoleculeObject_atom::resetProperties()
|
---|
121 | {
|
---|
122 | // set position
|
---|
123 | resetPosition();
|
---|
124 |
|
---|
125 | // set element
|
---|
126 | resetElement();
|
---|
127 |
|
---|
128 | // set the object's id
|
---|
129 | resetIndex();
|
---|
130 |
|
---|
131 | // selected?
|
---|
132 | setSelected(World::getInstance().isSelected(_atom));
|
---|
133 | }
|
---|
134 |
|
---|
135 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
|
---|
136 | {
|
---|
137 | _atom = NULL;
|
---|
138 | }
|
---|
139 |
|
---|
140 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
|
---|
141 | {
|
---|
142 | if (publisher == dynamic_cast<const Observable*>(_atom)){
|
---|
143 | // notofication from atom
|
---|
144 | #ifdef LOG_OBSERVER
|
---|
145 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
|
---|
146 | << " received notification from atom " << _atom->getId() << " for channel "
|
---|
147 | << notification->getChannelNo() << ".";
|
---|
148 | #endif
|
---|
149 | switch (notification->getChannelNo()) {
|
---|
150 | case AtomObservable::ElementChanged:
|
---|
151 | resetElement();
|
---|
152 | emit changed();
|
---|
153 | break;
|
---|
154 | case AtomObservable::IndexChanged:
|
---|
155 | resetIndex();
|
---|
156 | break;
|
---|
157 | case AtomObservable::PositionChanged:
|
---|
158 | resetPosition();
|
---|
159 | emit changed();
|
---|
160 | break;
|
---|
161 | case AtomObservable::BondsAdded:
|
---|
162 | {
|
---|
163 | ASSERT(!_atom->getListOfBonds().empty(),
|
---|
164 | "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
|
---|
165 | const bond * _bond = *(_atom->getListOfBonds().rbegin());
|
---|
166 | const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
|
---|
167 | GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
|
---|
168 | emit BondsInserted(_bond, side);
|
---|
169 | break;
|
---|
170 | }
|
---|
171 | default:
|
---|
172 | //setProperties();
|
---|
173 | break;
|
---|
174 | }
|
---|
175 | }else{
|
---|
176 | // notification from world
|
---|
177 | #ifdef LOG_OBSERVER
|
---|
178 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
|
---|
179 | << " received notification from world for channel "
|
---|
180 | << notification->getChannelNo() << ".";
|
---|
181 | #endif
|
---|
182 | switch (notification->getChannelNo()) {
|
---|
183 | case World::SelectionChanged:
|
---|
184 | setSelected(World::getInstance().isSelected(_atom));
|
---|
185 | break;
|
---|
186 | default:
|
---|
187 | break;
|
---|
188 | }
|
---|
189 | }
|
---|
190 | }
|
---|
191 |
|
---|
192 | void GLMoleculeObject_atom::wasClicked()
|
---|
193 | {
|
---|
194 | LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
|
---|
195 | emit clicked(_atom->getId());
|
---|
196 | }
|
---|