1 | /*
|
---|
2 | * Project: MoleCuilder
|
---|
3 | * Description: creates and alters molecular systems
|
---|
4 | * Copyright (C) 2014 Frederik Heber. All rights reserved.
|
---|
5 | *
|
---|
6 | *
|
---|
7 | * This file is part of MoleCuilder.
|
---|
8 | *
|
---|
9 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
10 | * it under the terms of the GNU General Public License as published by
|
---|
11 | * the Free Software Foundation, either version 2 of the License, or
|
---|
12 | * (at your option) any later version.
|
---|
13 | *
|
---|
14 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
17 | * GNU General Public License for more details.
|
---|
18 | *
|
---|
19 | * You should have received a copy of the GNU General Public License
|
---|
20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
21 | */
|
---|
22 |
|
---|
23 | /*
|
---|
24 | * BoxFillerPreparator.cpp
|
---|
25 | *
|
---|
26 | * Created on: Sep 2, 2014
|
---|
27 | * Author: heber
|
---|
28 | */
|
---|
29 |
|
---|
30 | // include config.h
|
---|
31 | #ifdef HAVE_CONFIG_H
|
---|
32 | #include <config.h>
|
---|
33 | #endif
|
---|
34 |
|
---|
35 | //#include "CodePatterns/MemDebug.hpp"
|
---|
36 |
|
---|
37 | #include "BoxFillerPreparator.hpp"
|
---|
38 |
|
---|
39 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
|
---|
40 |
|
---|
41 | #include "Filling/Mesh/CubeMesh.hpp"
|
---|
42 | #include "molecule.hpp"
|
---|
43 |
|
---|
44 | BoxFillerPreparator::BoxFillerPreparator(molecule *_filler) :
|
---|
45 | BaseFillerPreparator(_filler)
|
---|
46 | {}
|
---|
47 |
|
---|
48 | BoxFillerPreparator::~BoxFillerPreparator()
|
---|
49 | {}
|
---|
50 |
|
---|
51 | void BoxFillerPreparator::addCubeMesh(
|
---|
52 | const std::vector<unsigned int> _counts,
|
---|
53 | const Vector &_offset,
|
---|
54 | const RealSpaceMatrix &_M)
|
---|
55 | {
|
---|
56 | mesh = new CubeMesh(_counts, _offset, _M);
|
---|
57 | }
|
---|