2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2019, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS 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 GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
38 * Tests for combination of gmx::SetTimeStep and gmx::SetStartTime
40 * \author Paul Bauer <paul.bauer.q@gmail.com>
41 * \ingroup module_coordinateio
49 #include "gromacs/coordinateio/outputadapters/setstarttime.h"
50 #include "gromacs/coordinateio/outputadapters/settimestep.h"
51 #include "gromacs/trajectory/trajectoryframe.h"
53 #include "gromacs/coordinateio/tests/coordinate_test.h"
62 * Test fixture to prepare a setatoms object to pass data through.
64 class SetBothTimeTest
: public gmx::test::CommandLineTestBase
69 clear_trxframe(frame(), true);
72 * Get access to the method for changing frame time step information.
74 * \param[in] timeStep User supplied time step to test.
76 SetTimeStep
*setTimeStep(real timeStep
)
80 setTimeStep_
= std::make_unique
<SetTimeStep
>(timeStep
);
82 return setTimeStep_
.get();
85 * Get access to the method for changing frame start time information.
87 * \param[in] startTime User supplied start time to test.
89 SetStartTime
*setStartTime(real startTime
)
93 setStartTime_
= std::make_unique
<SetStartTime
>(startTime
);
95 return setStartTime_
.get();
98 //! Get access to trajectoryframe to mess with.
99 t_trxframe
*frame() { return &frame_
; }
102 //! Object to use for tests
103 SetTimeStepPointer setTimeStep_
;
104 //! Object to use for tests
105 SetStartTimePointer setStartTime_
;
106 //! Storage of trajectoryframe.
110 TEST_F(SetBothTimeTest
, StartTimeZeroWorks
)
114 SetTimeStep
*timestep
= setTimeStep(7);
115 // Set initial time to zero.
116 SetStartTime
*starttime
= setStartTime(0);
117 // processing always goes through start time before time step.
118 EXPECT_NO_THROW(starttime
->processFrame(0, frame()));
119 EXPECT_NO_THROW(timestep
->processFrame(0, frame()));
120 EXPECT_EQ(frame()->time
, 0);
121 // No matter what the next time in the frame is, ignore it.
123 EXPECT_NO_THROW(starttime
->processFrame(1, frame()));
124 EXPECT_NO_THROW(timestep
->processFrame(1, frame()));
126 EXPECT_EQ(frame()->time
, 7);
127 // And so on for more frames.
129 EXPECT_NO_THROW(starttime
->processFrame(2, frame()));
130 EXPECT_NO_THROW(timestep
->processFrame(2, frame()));
131 EXPECT_EQ(frame()->time
, 14);
134 TEST_F(SetBothTimeTest
, SetStartTimeNonZeroWorks
)
138 SetTimeStep
*timestep
= setTimeStep(7);
139 // Set initial time to zero.
140 SetStartTime
*starttime
= setStartTime(23);
141 // processing always goes through start time before time step.
142 EXPECT_NO_THROW(starttime
->processFrame(0, frame()));
143 EXPECT_NO_THROW(timestep
->processFrame(0, frame()));
144 EXPECT_EQ(frame()->time
, 23);
145 // No matter what the next time in the frame is, ignore it.
147 EXPECT_NO_THROW(starttime
->processFrame(1, frame()));
148 EXPECT_NO_THROW(timestep
->processFrame(1, frame()));
150 EXPECT_EQ(frame()->time
, 30);
151 // And so on for more frames.
153 EXPECT_NO_THROW(starttime
->processFrame(2, frame()));
154 EXPECT_NO_THROW(timestep
->processFrame(2, frame()));
155 EXPECT_EQ(frame()->time
, 37);