Context Navigation

testsuite-parser-xyz-load.at@ 3567e2

Visit:

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable

Last change on this file since 3567e2 was 0d97b4, checked in by Frederik Heber <heber@…>, 13 years ago
FIX: Disclaimer appeared twice in each testsuite. Second time removed.
Property mode set to `100644`
File size: 1.9 KB

Rev	Line
[6253ed]	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	#
[f2230e]	18	### parsing xyz
	19
	20	AT_SETUP([Parser - loading xyz file])
[e611dc]	21	AT_KEYWORDS([parser load xyz])
[23b0c2]	22
	23	file=test.xyz
[7db9bd]	24	AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz], 0, [ignore], [ignore])
	25	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
[23b0c2]	26
	27	AT_CLEANUP
	28
	29
[e69c87]	30	AT_SETUP([Parser - loading xyz file with Undo])
[e611dc]	31	AT_KEYWORDS([parser load xyz undo])
[23b0c2]	32
[e69c87]	33	file=test.xyz
[7db9bd]	34	AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --undo], 0, [ignore], [ignore])
[aa8cc2]	35	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/empty.xyz], 0, [ignore], [ignore])
[e69c87]	36
	37	AT_CLEANUP
	38
	39
	40	AT_SETUP([Parser - loading xyz file with Redo])
[e611dc]	41	AT_KEYWORDS([parser load xyz redo])
[e69c87]	42
	43	file=test.xyz
[7db9bd]	44	AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --undo --redo], 0, [ignore], [ignore])
	45	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
[23b0c2]	46
[f2230e]	47	AT_CLEANUP

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format