source: tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at@ 3fb9ab

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Last change on this file since 3fb9ab was 2fe4a5, checked in by Frederik Heber <heber@…>, 9 years ago

TESTFIX: Changed all parse-tremolo-potential calls to parse-particle-parameters.

  • also in boxmaker.py.in.
  • Property mode set to 100644
File size: 1.4 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2008-2012 University of Bonn
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### parsing tremolo
19
20AT_SETUP([Parser - saving tremolo file from loaded xyz file with potentials])
21AT_KEYWORDS([parser tremolo save parse-particle-parameters])
22
23AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/argon.potentials .], 0, [ignore], [ignore])
24AT_CHECK([../../molecuilder -v 2 --parse-particle-parameters argon.potentials -i test.data -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/test.xyz], 0, [ignore], [ignore])
25AT_CHECK([file=test.data; diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/post/test.data], 0, [ignore], [ignore])
26
27AT_CLEANUP
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