1 /******************************************************************************
2 
3   This source file is part of the Avogadro project.
4 
5   Copyright 2016 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 "supercelldialog.h"
18 #include "ui_supercelldialog.h"
19 
20 #include <avogadro/core/crystaltools.h>
21 #include <avogadro/core/molecule.h>
22 
23 #include <avogadro/qtgui/molecule.h>
24 #include <avogadro/qtgui/rwmolecule.h>
25 
26 using Avogadro::Core::CrystalTools;
27 
28 namespace Avogadro {
29 namespace QtPlugins {
30 
SupercellDialog(QWidget * p)31 SupercellDialog::SupercellDialog(QWidget* p)
32   : QDialog(p), m_ui(new Ui::SupercellDialog)
33 {
34   m_ui->setupUi(this);
35 }
36 
~SupercellDialog()37 SupercellDialog::~SupercellDialog()
38 {
39   delete m_ui;
40 }
41 
buildSupercell(Avogadro::QtGui::Molecule & mol)42 bool SupercellDialog::buildSupercell(Avogadro::QtGui::Molecule& mol)
43 {
44   // If the user rejected, just return false
45   if (this->exec() == QDialog::Rejected)
46     return false;
47 
48   // Read the values
49   unsigned int a = m_ui->aCellSpinBox->value();
50   unsigned int b = m_ui->bCellSpinBox->value();
51   unsigned int c = m_ui->cCellSpinBox->value();
52 
53   // No need to do anything if all the values are one
54   if (a == 1 && b == 1 && c == 1)
55     return true;
56 
57   // Run the supercell-building tool
58   mol.undoMolecule()->buildSupercell(a, b, c);
59   return true;
60 }
61 
62 } // namespace QtPlugins
63 } // namespace Avogadro
64