source: tests/regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at@ eca3b6

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Last change on this file since eca3b6 was eca3b6, checked in by Frederik Heber <heber@…>, 9 years ago

tempcommit: Merge with 4d1aefe1

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[4d1aef]1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2016 Frederik Heber
4#
5# This program is free software: you can redistribute it and/or modify
6# it under the terms of the GNU General Public License as published by
7# the Free Software Foundation, either version 3 of the License, or
8# (at your option) any later version.
9#
10# This program is distributed in the hope that it will be useful,
11# but WITHOUT ANY WARRANTY; without even the implied warranty of
12# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13# GNU General Public License for more details.
14#
15# You should have received a copy of the GNU General Public License
16# along with this program. If not, see <http://www.gnu.org/licenses/>.
17#
18### step through world time
19
20AT_SETUP([Worldtime - stepping])
21AT_KEYWORDS([worldtime step-world-time set-world-time])
22
[2a28cd]23AT_CHECK([../../molecuilder --step-world-time --steps-forward 1], 0, [stdout], [stderr])
[4d1aef]24AT_CHECK([fgrep "Current time step is now: 1" stdout], 0, [ignore], [ignore])
[2a28cd]25AT_CHECK([../../molecuilder --set-world-time 4 --step-world-time --steps-backward 2], 0, [stdout], [stderr])
[4d1aef]26AT_CHECK([fgrep "Current time step is now: 2" stdout], 0, [ignore], [ignore])
27# stepping back too far fails
[2a28cd]28AT_CHECK([../../molecuilder --set-world-time 1 --step-world-time --steps-backward 2], 5, [stdout], [stderr])
[4d1aef]29
30AT_CLEANUP
31
32
33AT_SETUP([Worldtime - stepping with Undo])
34AT_KEYWORDS([worldtime step-world-time set-world-time undo])
35
[eca3b6]36AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time --steps-backward 1 --undo], 0, [stdout], [stderr])
[4d1aef]37AT_CHECK([fgrep "Current time step is now again: 2" stdout], 0, [ignore], [ignore])
38
39AT_CLEANUP
40
41AT_SETUP([Worldtime - stepping with Redo])
42AT_KEYWORDS([worldtime step-world-time set-world-time undo redo])
43
[eca3b6]44AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time --steps-backward 1 --undo --redo], 0, [stdout], [stderr])
[4d1aef]45AT_CHECK([fgrep "Current time step is now: 1" stdout], 0, [ignore], [ignore])
46
47AT_CLEANUP
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