source: tests/regression/Bond/Add/testsuite-bond-add.at

Candidate_v1.6.1
Last change on this file was 88afc9, checked in by Frederik Heber <heber@…>, 10 years ago

Enhanced add-bonds and remove-bonds to multiply selected pairs of atoms.

  • renamed add/remove-bond -> add/remove-bond(s) to emphasize this.
  • added regression test on three selected atoms.
  • modified userguide entry for both actions.
  • Property mode set to 100644
File size: 2.2 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 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### add bond
19
20AT_SETUP([Bond - adding bond])
21AT_KEYWORDS([bond add-bonds])
22file=test.pdb
23AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/Add/pre/$file $file], 0, [ignore], [ignore])
24AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
25AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-id 0 1 --add-bonds], 0, [ignore], [ignore])
26AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/Add/post/$file], 0, [ignore], [ignore])
27AT_CLEANUP
28
29
30AT_SETUP([Bond - adding bond with Undo])
31AT_KEYWORDS([bond add-bonds undo])
32file=test.pdb
33AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/Add/pre/$file $file], 0, [ignore], [ignore])
34AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
35AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-id 0 1 --add-bonds --undo], 0, [ignore], [ignore])
36AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/Add/pre/$file], 0, [ignore], [ignore])
37AT_CLEANUP
38
39
40AT_SETUP([Bond - adding bond with Redo])
41AT_KEYWORDS([bond add-bonds redo])
42file=test.pdb
43AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Bond/Add/pre/$file $file], 0, [ignore], [ignore])
44AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
45AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-id 0 1 --add-bonds --undo --redo], 0, [ignore], [ignore])
46AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Bond/Add/post/$file], 0, [ignore], [ignore])
47AT_CLEANUP
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