Changeset 3f6aac for tests/regression/Selection/Atoms

Timestamp:

Jul 3, 2017, 3:06:31 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

8f2f4e

Parents:

9a4772

git-author:

Frederik Heber <frederik.heber@…> (05/12/17 20:09:49)

git-committer:

Frederik Heber <frederik.heber@…> (07/03/17 15:06:31)

Message:

Added (Un)selectAtomByName.

• Descriptor for AtomByName was already present.
• TESTS: also added regression test.

Location:

tests/regression/Selection/Atoms

Files:

• AtomByName/post/ethane-H5_missing.pdb (added)
• AtomByName/pre/ethane.pdb (added)
• AtomByName/testsuite-selection-select-atoms-by-name.at (added)
• AtomByName/testsuite-selection-unselect-atoms-by-name.at (added)
• testsuite-selection-atoms.at (modified) (1 diff)

tests/regression/Selection/Atoms/testsuite-selection-atoms.at ¶

@@ -38 +38 @@
 m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id-multiple.at)
 
+# (un)select atoms by name
+m4_include(Selection/Atoms/AtomByName/testsuite-selection-select-atoms-by-name.at)
+m4_include(Selection/Atoms/AtomByName/testsuite-selection-unselect-atoms-by-name.at)
+
 # (un)select atom by order
 m4_include(Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at)