1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
|
//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
//------------------------------------------------------------------------------
/*
* Authors: Marco Biasini, Juergen Haas
*/
#define BOOST_TEST_DYN_LINK
#include <boost/test/unit_test.hpp>
#include <ost/mol/mol.hh>
using namespace ost;
using namespace ost::mol;
BOOST_AUTO_TEST_SUITE( mol_base );
BOOST_AUTO_TEST_CASE(connect)
{
EntityHandle e=CreateEntity();
XCSEditor editor=e.EditXCS();
ChainHandle c=editor.InsertChain("A");
ResidueHandle r=editor.AppendResidue(c, "GLY");
AtomHandle n=editor.InsertAtom(r, "N", geom::Vec3(0,1,0));
AtomHandle o=editor.InsertAtom(r, "O", geom::Vec3(0,0,0));
AtomHandle x=editor.InsertAtom(r, "X", geom::Vec3(1,0,0));
editor.Connect(n, o);
editor.Connect(o, x);
// test symmetry of operation.
BOOST_CHECK(BondExists(n, o));
BOOST_CHECK(BondExists(o, n));
BOOST_CHECK(BondExists(o, x));
BOOST_CHECK(BondExists(x, o));
BOOST_CHECK(!BondExists(n, x));
BOOST_CHECK(!BondExists(x, n));
BOOST_CHECK(n.GetBondCount()==1);
BOOST_CHECK(o.GetBondCount()==2);
BOOST_CHECK(n.GetBondCount()==1);
}
BOOST_AUTO_TEST_SUITE_END();
|
