Action_Thermostats
        Add_AtomRandomPerturbation
        Add_RotateAroundBondAction
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        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_documentation
        Enable_parallel_make_install
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        FitPartialCharges_GlobalError
        Fix_ChronosMutex
        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_levmar
        Subpackage_vmg
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        Ubuntu_1604_changes
        stable
      
      
        
          | Last change
 on this file since 8ce1a9 was             4464ef, checked in by Frederik Heber <heber@…>, 9 years ago | 
        
          | 
Added Examples tests that integrate the full fragment automation pipeline.
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.2 KB | 
      
      
| Line |  | 
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| 1 | # | 
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| 2 | #    MoleCuilder - creates and alters molecular systems | 
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| 3 | #    Copyright (C) 2008-2012 University of Bonn | 
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| 4 | # | 
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| 5 | #    This program is free software: you can redistribute it and/or modify | 
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| 6 | #    it under the terms of the GNU General Public License as published by | 
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| 7 | #    the Free Software Foundation, either version 3 of the License, or | 
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| 8 | #    (at your option) any later version. | 
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| 9 | # | 
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| 10 | #    This program is distributed in the hope that it will be useful, | 
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| 11 | #    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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| 12 | #    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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| 13 | #    GNU General Public License for more details. | 
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| 14 | # | 
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| 15 | #    You should have received a copy of the GNU General Public License | 
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| 16 | #    along with this program.  If not, see <http://www.gnu.org/licenses/>. | 
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| 17 | # | 
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| 18 | # Process with autom4te to create an -*- Autotest -*- test suite. | 
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| 19 | # | 
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| 20 | # see regression/... subdirs wherein for each of the cases and each check (enumerated) is a pre and post dir. | 
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| 21 | # In pre initial files are placed, in post results can be found to be checked by diff in this testsuite. | 
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| 22 |  | 
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| 23 | AT_INIT([Molecuilder Examples]) | 
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| 24 | AT_TESTED(diff grep egrep fgrep) | 
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| 25 |  | 
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| 26 | # Use colored output with new-enough Autotest. | 
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| 27 | m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS]) | 
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| 28 |  | 
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| 29 | # JobMarket | 
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| 30 | m4_include([testsuite-examples.at]) | 
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