source: tests/regression/Selection/Atoms/testsuite-selection-atoms.at@ 67645e

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 67645e was 3213f2, checked in by Frederik Heber <heber@…>, 11 years ago

Added Push/PopAtom selection actions.
  • Property mode set to 100644
File size: 3.1 KB
RevLine 
[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#
[170ba6]18AT_BANNER([MoleCuilder - Atom selections])
19
20### ATOMS ####
21
22# (un)select all atoms
[f2872a]23m4_include(Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at)
24m4_include(Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at)
[170ba6]25
26# (un)select all atoms of molecule
[f2872a]27m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at)
28m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at)
[170ba6]29
30# (un)select atoms by element
[f2872a]31m4_include(Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at)
32m4_include(Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at)
[170ba6]33
34# (un)select atom by id
[f2872a]35m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at)
[f7c7cf]36m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id-multiple.at)
[f2872a]37m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at)
[f7c7cf]38m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id-multiple.at)
[170ba6]39
[61c364]40# (un)select atom by order
41m4_include(Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at)
42m4_include(Selection/Atoms/AtomByOrder/testsuite-selection-unselect-atom-by-order.at)
43
[170ba6]44# (un)select atoms inside cuboid
[f2872a]45m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at)
46m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at)
47m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at)
[170ba6]48
49# (un)select atoms inside sphere
[f2872a]50m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at)
[3e1b7b]51m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-tiny-sphere.at)
[f2872a]52m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at)
[3e1b7b]53m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-tiny-sphere.at)
[170ba6]54
55# clear atom selection
56m4_include(Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at)
[ebc499]57
58# invert selection
59m4_include(Selection/Atoms/InvertAtoms/testsuite-selection-invert-atoms.at)
60
[3213f2]61# push atom selection
62m4_include(Selection/Atoms/PushAtomSelection/testsuite-selection-push-atom-selection.at)
63
64# pop atom selection
65m4_include(Selection/Atoms/PopAtomSelection/testsuite-selection-pop-atom-selection.at)
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