source: tests/regression/Geometry/testsuite-geometry-common.at@ d24ef58

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
Last change on this file since d24ef58 was 467b2b, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added regression test for all four geometry Actions and common Geometry issues.

  • so far, the tests are set to XFAIL as we do not yet recognize the geometry object names.
  • Property mode set to 100644
File size: 1.6 KB
RevLine 
[467b2b]1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2017 Frederik Heber
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### common stuff to geometry
19
20# names are already setup automatically
21AT_SETUP([Geometry - automatically added geometry names])
22AT_KEYWORDS([geometry])
23AT_CHECK([../../molecuilder --input-to-vector "zeroVector" --position "0,0,0"], 5, [ignore], [ignore])
24AT_CHECK([../../molecuilder --input-to-vector "unitVectorX" --position "1,0,0"], 5, [ignore], [ignore])
25AT_CHECK([../../molecuilder --input-to-vector "unitVectorY" --position "0,1,0"], 5, [ignore], [ignore])
26AT_CHECK([../../molecuilder --input-to-vector "unitVectorZ" --position "0,0,1"], 5, [ignore], [ignore])
27AT_CLEANUP
28
29# no names interpretable as vectors and no pure numbers
30AT_SETUP([Geometry - illegal geometry names])
31AT_KEYWORDS([geometry])
32AT_CHECK([../../molecuilder --input-to-vector "0,0,0" --position "0,0,0"], 5, [ignore], [ignore])
33AT_CHECK([../../molecuilder --input-to-vector "1" --position "1,0,0"], 5, [ignore], [ignore])
34AT_CLEANUP
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