source: tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at

Candidate_v1.6.1
Last change on this file was 67ab71, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: default's resSeq in TremoloParser written inconsistently.

  • TremoloParser::saveLine() would add +1 to moleculeId but not else. Hence, if we load a .xyz file and store as .data, the resSeq is 1. If some default value has been set before, it would be 0. Also, it would get parsed as 1 and wrongly stored as 0 (see e.g. Parser/Tremolo's pre and post test.data).
  • TESTFIX: new Parser/Tremolo/post/test_xyz.data to check correct default value used in testsuite-parser-tremolo-save.
  • TESTFIX: Modified Parser/Tremolo/post/test.data as parsed value is 1.
  • TESTFIX: Modified Parser/Tremolo-Potentials/post/test.data as default value is 0 (pre is .xyz file).
  • Property mode set to 100644
File size: 1.5 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
20
21AT_SETUP([Parser - saving tremolo file])
22AT_KEYWORDS([parser output tremolo])
23
24AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.data --output-as store.data], 0, [ignore], [ignore])
25AT_CHECK([diff -w -I '#.*' store.data ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/test.data], 0, [ignore], [ignore])
26
27AT_CLEANUP
28
29
30AT_SETUP([Parser - saving tremolo from loaded xyz file])
31AT_KEYWORDS([parser tremolo xyz])
32
33AT_CHECK([../../molecuilder -i test.xyz -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.xyz], 0, [ignore], [ignore])
34AT_CHECK([file=test.data; diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/test_xyz.data], 0, [ignore], [ignore])
35
36AT_CLEANUP
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