Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since d24ef58 was 0d97b4, checked in by Frederik Heber <heber@…>, 12 years ago |
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FIX: Disclaimer appeared twice in each testsuite. Second time removed.
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set to
100644
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File size:
1.5 KB
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| [6253ed] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| [5fa2ba] | 18 | ### parsing pdb
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| 19 |
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| 20 | AT_SETUP([Parser - loading various pdb files])
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| [e611dc] | 21 | AT_KEYWORDS([parser load pdb])
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| [5fa2ba] | 22 |
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| [3dfd9c] | 23 | # testosterone.pdb
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| 24 | file=testosterone.pdb
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| 25 | AT_CHECK([../../molecuilder -i $file -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/$file], 0, [ignore], [ignore])
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| 26 | AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/$file], 0, [ignore], [ignore])
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| 27 |
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| 28 | # tensid.pdb: CONECT entries with 5 digits
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| 29 | file=tensid.pdb
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| 30 | AT_CHECK([../../molecuilder -i $file -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/$file], 0, [ignore], [stderr])
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| 31 | AT_CHECK([grep "Unknown token.*CONECT" stderr], 1, [ignore], [ignore])
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| 32 | AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/$file], 0, [ignore], [ignore])
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| [5fa2ba] | 33 |
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| 34 | AT_CLEANUP
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