1 /******************************************************************************
2
3 This source file is part of the Avogadro project.
4
5 Copyright 2014 Kitware, Inc.
6
7 This source code is released under the New BSD License, (the "License").
8
9 Unless required by applicable law or agreed to in writing, software
10 distributed under the License is distributed on an "AS IS" BASIS,
11 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
12 See the License for the specific language governing permissions and
13 limitations under the License.
14
15 ******************************************************************************/
16
17 #include "wireframe.h"
18
19 #include <avogadro/core/elements.h>
20 #include <avogadro/core/molecule.h>
21 #include <avogadro/rendering/geometrynode.h>
22 #include <avogadro/rendering/groupnode.h>
23 #include <avogadro/rendering/linestripgeometry.h>
24
25 #include <QtWidgets/QCheckBox>
26 #include <QtWidgets/QDoubleSpinBox>
27 #include <QtWidgets/QHBoxLayout>
28 #include <QtWidgets/QLabel>
29 #include <QtWidgets/QVBoxLayout>
30 #include <QtWidgets/QWidget>
31
32 namespace Avogadro {
33 namespace QtPlugins {
34
35 using Core::Elements;
36 using Core::Molecule;
37 using Core::Array;
38 using Rendering::GeometryNode;
39 using Rendering::GroupNode;
40 using Rendering::LineStripGeometry;
41
Wireframe(QObject * p)42 Wireframe::Wireframe(QObject* p)
43 : ScenePlugin(p), m_enabled(false), m_group(nullptr), m_setupWidget(nullptr),
44 m_multiBonds(true), m_showHydrogens(true)
45 {
46 }
47
~Wireframe()48 Wireframe::~Wireframe()
49 {
50 if (m_setupWidget)
51 m_setupWidget->deleteLater();
52 }
53
process(const Molecule & molecule,Rendering::GroupNode & node)54 void Wireframe::process(const Molecule& molecule, Rendering::GroupNode& node)
55 {
56 // Add a sphere node to contain all of the spheres.
57 m_group = &node;
58 GeometryNode* geometry = new GeometryNode;
59 node.addChild(geometry);
60
61 LineStripGeometry* lines = new LineStripGeometry;
62 lines->identifier().molecule = &molecule;
63 lines->identifier().type = Rendering::BondType;
64 geometry->addDrawable(lines);
65 for (Index i = 0; i < molecule.bondCount(); ++i) {
66 Core::Bond bond = molecule.bond(i);
67 if (!m_showHydrogens && (bond.atom1().atomicNumber() == 1 ||
68 bond.atom2().atomicNumber() == 1)) {
69 continue;
70 }
71 Vector3f pos1 = bond.atom1().position3d().cast<float>();
72 Vector3f pos2 = bond.atom2().position3d().cast<float>();
73 Vector3ub color1(Elements::color(bond.atom1().atomicNumber()));
74 Vector3ub color2(Elements::color(bond.atom2().atomicNumber()));
75 Array<Vector3f> points;
76 Array<Vector3ub> colors;
77 points.push_back(pos1);
78 points.push_back(pos2);
79 colors.push_back(color1);
80 colors.push_back(color2);
81 lines->addLineStrip(points, colors, 1.0f);
82 }
83 }
84
isEnabled() const85 bool Wireframe::isEnabled() const
86 {
87 return m_enabled;
88 }
89
setEnabled(bool enable)90 void Wireframe::setEnabled(bool enable)
91 {
92 m_enabled = enable;
93 }
94
setupWidget()95 QWidget* Wireframe::setupWidget()
96 {
97 if (!m_setupWidget) {
98 m_setupWidget = new QWidget(qobject_cast<QWidget*>(parent()));
99 QVBoxLayout* v = new QVBoxLayout;
100 QCheckBox* check = new QCheckBox(tr("Show multiple bonds?"));
101 check->setChecked(m_multiBonds);
102 connect(check, SIGNAL(clicked(bool)), SLOT(multiBonds(bool)));
103 v->addWidget(check);
104 check = new QCheckBox(tr("Show hydrogens?"));
105 check->setChecked(m_showHydrogens);
106 connect(check, SIGNAL(toggled(bool)), SLOT(showHydrogens(bool)));
107 v->addWidget(check);
108 m_setupWidget->setLayout(v);
109 }
110 return m_setupWidget;
111 }
112
multiBonds(bool show)113 void Wireframe::multiBonds(bool show)
114 {
115 if (show != m_multiBonds) {
116 m_multiBonds = show;
117 emit drawablesChanged();
118 }
119 }
120
showHydrogens(bool show)121 void Wireframe::showHydrogens(bool show)
122 {
123 if (show != m_showHydrogens) {
124 m_showHydrogens = show;
125 emit drawablesChanged();
126 }
127 }
128 }
129 }
130