source: tests/regression/Selection/Atoms/testsuite-selection-atoms.at@ a4dee7

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 a4dee7 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
Line 
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#
18AT_BANNER([MoleCuilder - Atom selections])
19
20### ATOMS ####
21
22# (un)select all atoms
23m4_include(Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at)
24m4_include(Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at)
25
26# (un)select all atoms of molecule
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)
29
30# (un)select atoms by element
31m4_include(Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at)
32m4_include(Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at)
33
34# (un)select atom by id
35m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at)
36m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id-multiple.at)
37m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at)
38m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id-multiple.at)
39
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
44# (un)select atoms inside cuboid
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)
48
49# (un)select atoms inside sphere
50m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at)
51m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-tiny-sphere.at)
52m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at)
53m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-tiny-sphere.at)
54
55# clear atom selection
56m4_include(Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at)
57
58# invert selection
59m4_include(Selection/Atoms/InvertAtoms/testsuite-selection-invert-atoms.at)
60
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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