Changeset bad589

Timestamp:

Sep 19, 2013, 8:23:52 PM (12 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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, 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

Children:

9b56f34

Parents:

46b181

git-author:

Frederik Heber <heber@…> (08/23/13 11:50:41)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:23:52)

Message:

Added StoreSessionAction to store the current session to file.

Files:

• src/Actions/ActionQueue.cpp (modified) (1 diff)
• src/Actions/CommandAction/StoreSessionAction.cpp (added)
• src/Actions/CommandAction/StoreSessionAction.def (added)
• src/Actions/CommandAction/StoreSessionAction.hpp (added)
• src/Actions/GlobalListOfActions.hpp (modified) (2 diffs)
• src/Actions/Makefile.am (modified) (3 diffs)
• tests/Python/AllActions/options.dat (modified) (1 diff)
• tests/regression/Makefile.am (modified) (1 diff)
• tests/regression/Options/Session/post/test.sh (added)
• tests/regression/Options/Session/testsuite-options-store-session.at (added)
• tests/regression/Options/testsuite-options.at (modified) (1 diff)

src/Actions/ActionQueue.cpp

@@ -96 +96 @@
       iter != queue.end();
       ++iter) {
-    if (iter != queue.begin())
-      output << " ";
-    (*iter)->outputAsCLI(output);
+    // skip store-session in printed list
+    if ((*iter)->getName() != std::string("store-session")) {
+      if (iter != queue.begin())
+        output << " ";
+      (*iter)->outputAsCLI(output);
+    }
   }
   output << std::endl;

src/Actions/GlobalListOfActions.hpp

@@ -44 +44 @@
   (TesselationConvexEnvelope) \
   (CommandElementDb) \
-  (CommandVerbose) \
-  (CommandWarranty) \
-  (CommandVersion) \
+  (CommandBondLengthTable) \
+  (CommandFastParsing) \
   (CommandHelp) \
   (CommandHelpRedistribute) \
-  (CommandBondLengthTable) \
-  (CommandFastParsing) \
+  (CommandSetRandomNumbersEngine) \
+  (CommandSetRandomNumbersDistribution) \
+  (CommandStoreSession) \
+  (CommandVerbose) \
+  (CommandVersion) \
+  (CommandWarranty) \
   (ParserSetTremoloAtomdata) \
   (ParserParseTremoloPotentials) \
@@ -66 +69 @@
   (AnalysisMolecularVolume) \
   (AnalysisPrincipalAxisSystem) \
-  (CommandSetRandomNumbersEngine) \
-  (CommandSetRandomNumbersDistribution) \
   (Undo) \
   (AtomSaveSelectedAtoms) \

src/Actions/Makefile.am

@@ -186 +186 @@
   Actions/CommandAction/HelpAction.cpp \
   Actions/CommandAction/HelpRedistributeAction.cpp \
+  Actions/CommandAction/StoreSessionAction.cpp \
   Actions/CommandAction/VerboseAction.cpp \
   Actions/CommandAction/VersionAction.cpp \
@@ -195 +196 @@
   Actions/CommandAction/HelpAction.hpp \
   Actions/CommandAction/HelpRedistributeAction.hpp \
+  Actions/CommandAction/StoreSessionAction.hpp \
   Actions/CommandAction/VerboseAction.hpp \
   Actions/CommandAction/VersionAction.hpp \
@@ -204 +206 @@
   Actions/CommandAction/HelpAction.def \
   Actions/CommandAction/HelpRedistributeAction.def \
+  Actions/CommandAction/StoreSessionAction.def \
   Actions/CommandAction/VerboseAction.def \
   Actions/CommandAction/VersionAction.def \

tests/Python/AllActions/options.dat

@@ -206 +206 @@
 store-grids     "0"
 store-saturated-fragment        "BondFragment"
+store-session   "test.sh"
 stretch-bond    "1.5"
 stretch "1. 1. 1."

tests/regression/Makefile.am

@@ -101 +101 @@
         $(srcdir)/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at \
         $(srcdir)/Options/testsuite-options.at \
+        $(srcdir)/Options/BondLengthTable/testsuite-options-bond-length-table.at \
+        $(srcdir)/Options/ElementsDb/testsuite-options-no-elements-db.at \
+        $(srcdir)/Options/ElementsDb/testsuite-options-elements-db.at \
+        $(srcdir)/Options/Empty/testsuite-options-empty-configs.at \
+        $(srcdir)/Options/FastParsing/testsuite-options-fast-parsing.at \
+        $(srcdir)/Options/Help/testsuite-options-help.at \
+        $(srcdir)/Options/InvalidCommands/testsuite-options-invalid-commands.at \
+        $(srcdir)/Options/Session/testsuite-options-store-session.at \
+        $(srcdir)/Options/SetDefaultName/testsuite-options-set-default-name.at \
+        $(srcdir)/Options/SetWorldTime/testsuite-options-set-world-time.at \
         $(srcdir)/Options/Verbosity/testsuite-options-verbosity.at \
         $(srcdir)/Options/Warranty/testsuite-options-warranty.at \
-        $(srcdir)/Options/Help/testsuite-options-help.at \
-        $(srcdir)/Options/ElementsDb/testsuite-options-no-elements-db.at \
-        $(srcdir)/Options/ElementsDb/testsuite-options-elements-db.at \
-        $(srcdir)/Options/BondLengthTable/testsuite-options-bond-length-table.at \
-        $(srcdir)/Options/FastParsing/testsuite-options-fast-parsing.at \
-        $(srcdir)/Options/SetDefaultName/testsuite-options-set-default-name.at \
-        $(srcdir)/Options/SetWorldTime/testsuite-options-set-world-time.at \
-        $(srcdir)/Options/Empty/testsuite-options-empty-configs.at \
-        $(srcdir)/Options/InvalidCommands/testsuite-options-invalid-commands.at \
         $(srcdir)/Parser/testsuite-parser.at \
         $(srcdir)/Parser/Mpqc/testsuite-parser-mpqc-empty.at \

tests/regression/Options/testsuite-options.at

@@ -49 +49 @@
 m4_include([Options/InvalidCommands/testsuite-options-invalid-commands.at])
 
+# test store sessions
+m4_include([Options/Session/testsuite-options-store-session.at])