Changeset 0d4168


Ignore:
Timestamp:
May 20, 2014, 8:47:03 AM (11 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:
cc6e5c
Parents:
c09f94
git-author:
Frederik Heber <heber@…> (08/28/13 23:05:38)
git-committer:
Frederik Heber <heber@…> (05/20/14 08:47:03)
Message:

Allow setting of invalid values in Value class, Action::performCall() catches ParameterExceptions.

Value changes:

  • Values are now checked with get().
  • having the Actions fill their parameters on instantiation may lead to invalid values because actions that, e.g. add an atom and thereby make a so far invalid atomic id now valid, still have to get executed.
  • hence, we allow setting of invalid values. Validity is check/enforced on get(), i.e. when the Action is actually performed and not before. This is also the very moment where the parameters are first required to be valid.
  • Parameter::clone() and copy cstor must not use get() as invalid values are there still allowed.
  • TESTFIX: Value behavior changed.
  • TESTFIX: regression test add atom outside boundary is working again.
  • TESTFIX: regression tests load/store-session would be skipped as loading non-present file fails now. We use --help --actionname instead.

Action changes:

  • are turned into Action::failure.
  • ActionQueue calling an Action wrapped in try/catch-block for ActionFailure.
  • removed try/catch in doUI().
  • as exception (will) occur in ActionQueue's queue_thread, we need to catch it there. As the only thing we do is set the exit flag of the World. We can do this in ActionQueue as well.
Files:
13 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/Action.cpp

    rc09f94 r0d4168  
    136136  }
    137137  ActionState::ptr state = Action::failure;
    138 //  try {
    139     startTimer();
     138  startTimer();
     139  try {
    140140    state = performCall();
    141     endTimer();
    142 //  } catch(MissingValueException&) {
    143 //    ELOG(0, "There is a value missing for action " << getName());
    144 //  };
     141  } catch (ParameterException &e) {
     142    if( const std::string *name=boost::get_error_info<ParameterName>(e) )
     143      ELOG(1, "The following parameter value is not valid: " << *name << ".");
     144    state = Action::failure;
     145  }
     146  endTimer();
    145147
    146148  if(shouldUndo() && state != failure){
  • src/Actions/ActionQueue.cpp

    rc09f94 r0d4168  
    4646#include <vector>
    4747
     48#include "Actions/ActionExceptions.hpp"
    4849#include "Actions/ActionHistory.hpp"
    4950#include "Actions/ActionRegistry.hpp"
     51#include "World.hpp"
    5052
    5153using namespace MoleCuilder;
     
    7981  newaction->prepare(state);
    8082  actionqueue.push_back( newaction );
    81   newaction->call();
     83  try {
     84    newaction->call();
     85  } catch(ActionFailureException &e) {
     86    std::cerr << "Action " << *boost::get_error_info<ActionNameString>(e) << " has failed." << std::endl;
     87    World::getInstance().setExitFlag(5);
     88  }
    8289}
    8390
  • src/Actions/GlobalListOfActions.hpp

    rc09f94 r0d4168  
    4848  (CommandHelp) \
    4949  (CommandHelpRedistribute) \
    50   (CommandLoadSession) \
    5150  (CommandSetRandomNumbersEngine) \
    5251  (CommandSetRandomNumbersDistribution) \
     
    170169
    171170// define final list
    172 #define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_LEVMAR
     171
     172#ifdef HAVE_PYTHON
     173#define GLOBALLISTOFACTIONS_PYTHON \
     174    BOOST_PP_SEQ_PUSH_BACK( \
     175        GLOBALLISTOFACTIONS_LEVMAR, \
     176        CommandLoadSession \
     177    )
     178#else
     179#define GLOBALLISTOFACTIONS_PYTHON \
     180    GLOBALLISTOFACTIONS_LEVMAR
     181#endif
     182
     183#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
     184
     185// define python list
     186// skips CommandLoadSession as this causes dangerous infinite loops
     187#define GLOBALLISTOFPYTHONACTIONS \
     188  GLOBALLISTOFACTIONS_LEVMAR
    173189
    174190#endif /* GLOBALLISTOFACTIONS_HPP_ */
  • src/Actions/Makefile.am

    rc09f94 r0d4168  
    190190  Actions/CommandAction/HelpAction.cpp \
    191191  Actions/CommandAction/HelpRedistributeAction.cpp \
    192   Actions/CommandAction/LoadSessionAction.cpp \
    193192  Actions/CommandAction/StoreSessionAction.cpp \
    194193  Actions/CommandAction/VerboseAction.cpp \
     
    201200  Actions/CommandAction/HelpAction.hpp \
    202201  Actions/CommandAction/HelpRedistributeAction.hpp \
    203   Actions/CommandAction/LoadSessionAction.hpp \
    204202  Actions/CommandAction/StoreSessionAction.hpp \
    205203  Actions/CommandAction/VerboseAction.hpp \
     
    212210  Actions/CommandAction/HelpAction.def \
    213211  Actions/CommandAction/HelpRedistributeAction.def \
    214   Actions/CommandAction/LoadSessionAction.def \
    215212  Actions/CommandAction/StoreSessionAction.def \
    216213  Actions/CommandAction/VerboseAction.def \
    217214  Actions/CommandAction/VersionAction.def \
    218215  Actions/CommandAction/WarrantyAction.def
     216
     217if CONDPYTHON
     218CMDACTIONSOURCE += \
     219  Actions/CommandAction/LoadSessionAction.cpp
     220CMDACTIONHEADER += \
     221  Actions/CommandAction/LoadSessionAction.hpp
     222CMDACTIONDEFS += \
     223  Actions/CommandAction/LoadSessionAction.def
     224endif
    219225
    220226FILLACTIONSOURCE = \
  • src/Parameters/Parameter_impl.hpp

    rc09f94 r0d4168  
    2323  value(instance.value.getValidator())
    2424{
    25   value.set(instance.value.get());
     25  value.set(instance.value.value);
    2626}
    2727
     
    260260{
    261261  Parameter<T> *instance = new Parameter<T>(ParameterInterface::getName(), value.getValidator());
     262  // do not use get, we do not check for validity here
    262263  if (value.ValueSet)
    263     instance->set(value.get());
     264    instance->set(value.value);
    264265  return instance;
    265266}
  • src/Parameters/Value_impl.hpp

    rc09f94 r0d4168  
    119119inline const T & Value<T>::get() const throw(ParameterValueException)
    120120{
     121  if (!isValid(value)) throw ParameterValueException();
    121122  if (!ValueSet) throw ParameterValueException();
    122123  return value;
     
    130131inline void Value<T>::set(const T & _value) throw(ParameterException)
    131132{
    132   if (!isValid(_value)) throw ParameterValueException();
     133  // any value may be set, this allows Actions to have invalid parameters
     134  // (e.g. because the given atom id does not yet exist) that are checked
     135  // on performCall()
     136//  if (!isValid(_value)) throw ParameterValueException();
    133137  if (!ValueSet)
    134138    ValueSet = true;
     
    168172inline const std::string Value<T>::getAsString() const throw(ParameterValueException)
    169173{
    170   if (!ValueSet) throw ParameterValueException();
    171   return toString(value);
     174  return toString(get());
    172175}
    173176
  • src/Parameters/unittests/ContinuousValueTest.cpp

    rc09f94 r0d4168  
    145145void ContinuousValueTest::settergetterIntAsStringTest()
    146146{
     147  // unset calling of get, throws ParameterValueException
     148  {
     149    Value<int> test(*ValidIntRange);
     150    std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     151    CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
     152  }
     153
     154  // setting invalid and getting it, throws ParameterValueException
     155  {
     156    Value<int> test(*ValidIntRange);
     157    test.setAsString(toString(5));
     158    CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
     159    test.setAsString(toString(0));
     160    std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     161    CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
     162  }
     163
     164  // checking all valid ones
     165  {
     166    Value<int> test(*ValidIntRange);
     167    CPPUNIT_ASSERT_EQUAL(false, test.ValueSet);
     168    for (int i=1; i<=4;++i) {
     169      test.setAsString(toString(i));
     170      CPPUNIT_ASSERT_EQUAL(true, test.ValueSet);
     171      CPPUNIT_ASSERT_EQUAL(toString(i), test.getAsString());
     172    }
     173  }
     174}
     175
     176/** Unit test for setters and getters.
     177 *
     178 */
     179void ContinuousValueTest::settergetterIntTest()
     180{
    147181  // create instance
    148182  Value<int> test(*ValidIntRange);
     
    150184  // unset calling of get, throws ParameterValueException
    151185  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    152   CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
    153 
    154   // setting invalid, throws ParameterValueException
    155   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    156   CPPUNIT_ASSERT_THROW(test.setAsString(toString(5)), ParameterValueException);
    157   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    158   CPPUNIT_ASSERT_THROW(test.setAsString(toString(0)), ParameterValueException);
    159 
    160   CPPUNIT_ASSERT_EQUAL(false, test.ValueSet);
    161   // checking all valid ones
    162   for (int i=1; i<=4;++i) {
    163     test.setAsString(toString(i));
    164     CPPUNIT_ASSERT_EQUAL(true, test.ValueSet);
    165     CPPUNIT_ASSERT_EQUAL(toString(i), test.getAsString());
    166   }
    167 }
    168 
    169 /** Unit test for setters and getters.
    170  *
    171  */
    172 void ContinuousValueTest::settergetterIntTest()
    173 {
    174   // create instance
    175   Value<int> test(*ValidIntRange);
    176 
    177   // unset calling of get, throws ParameterValueException
    178   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    179186  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
    180187
    181   // setting invalid, throws ParameterValueException
    182   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    183   CPPUNIT_ASSERT_THROW(test.set(5), ParameterValueException);
    184   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    185   CPPUNIT_ASSERT_THROW(test.set(0), ParameterValueException);
     188  // setting invalid and getting it, throws ParameterValueException
     189  test.set(5);
     190  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     191  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
     192  test.set(0);
     193  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     194  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
    186195
    187196  // checking all valid ones
     
    381390void ContinuousValueTest::settergetterVectorTest()
    382391{
    383   // create instance
    384   Value<Vector> test(*ValidVectorRange);
    385 
    386392  // unset calling of get, throws
    387   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    388   CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
    389 
    390   // setting invalid, throws
    391   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    392   CPPUNIT_ASSERT_THROW(test.set(Vector(5,0,0)), ParameterValueException);
    393   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    394   CPPUNIT_ASSERT_THROW(test.set(Vector(5,20,5)), ParameterValueException);
    395 
    396   CPPUNIT_ASSERT_EQUAL(false, test.ValueSet);
     393  {
     394    Value<Vector> test(*ValidVectorRange);
     395    std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     396    CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
     397  }
     398
     399  // setting invalid and getting it, throws
     400  {
     401    Value<Vector> test(*ValidVectorRange);
     402    test.set(Vector(5,0,0));
     403    std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     404    CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
     405    test.set(Vector(5,20,5));
     406    std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     407    CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
     408  }
     409
    397410  // checking some valid ones
    398   for (int i=1; i<=4;++i) {
    399     Vector v(i,5,5);
    400     test.set(v);
    401     CPPUNIT_ASSERT_EQUAL(true, test.ValueSet);
    402     CPPUNIT_ASSERT_EQUAL(v, test.get());
     411  {
     412    Value<Vector> test(*ValidVectorRange);
     413    CPPUNIT_ASSERT_EQUAL(false, test.ValueSet);
     414    for (int i=1; i<=4;++i) {
     415      Vector v(i,5,5);
     416      test.set(v);
     417      CPPUNIT_ASSERT_EQUAL(true, test.ValueSet);
     418      CPPUNIT_ASSERT_EQUAL(v, test.get());
     419    }
    403420  }
    404421}
  • src/Parameters/unittests/DiscreteValueTest.cpp

    rc09f94 r0d4168  
    174174  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
    175175
    176   // setting invalid, throws
    177   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    178   CPPUNIT_ASSERT_THROW(test.set(4), ParameterValueException);
    179   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    180   CPPUNIT_ASSERT_THROW(test.set(0), ParameterValueException);
     176  // setting invalid and getting it, throws
     177  test.set(4);
     178  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     179  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
     180  test.set(0);
     181  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     182  CPPUNIT_ASSERT_THROW(test.get(), ParameterValueException);
    181183
    182184  // checking all valid ones
     
    200202  CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
    201203
    202   // setting invalid, throws
    203   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    204   CPPUNIT_ASSERT_THROW(test.setAsString(toString(4)), ParameterValueException);
    205   std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
    206   CPPUNIT_ASSERT_THROW(test.setAsString(toString(0)), ParameterValueException);
     204  // setting invalid and getting it, throws
     205  test.setAsString(toString(4));
     206  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     207  CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
     208  test.setAsString(toString(0));
     209  std::cout << "The following Assert failures are intended and do not indicate a failure of the test." << std::endl;
     210  CPPUNIT_ASSERT_THROW(test.getAsString(), ParameterValueException);
    207211
    208212  // checking all valid ones
  • src/UIElements/Dialog.cpp

    rc09f94 r0d4168  
    6868bool Dialog::display(){
    6969  handleAll();
    70   if(checkAll()){
    71     setAll();
    72     return true;
    73   }
    74   else{
    75     return false;
    76   }
     70  setAll();
     71  return true;
     72//  if(checkAll()){
     73//    setAll();
     74//    return true;
     75//  }
     76//  else{
     77//    return false;
     78//  }
    7779}
    7880
     
    107109  list<Query*>::iterator iter;
    108110  for(iter=queries.begin(); iter!=queries.end(); iter++) {
    109     try {
     111//    try {
    110112      (*iter)->setResult();
    111     } catch (ParameterException &e) {
    112       if( const std::string *name=boost::get_error_info<ParameterName>(e) )
    113         ELOG(1, "The following parameter value is not valid: " << *name << ".");
    114       break;
    115     }
     113//    } catch (ParameterException &e) {
     114//      if( const std::string *name=boost::get_error_info<ParameterName>(e) )
     115//        ELOG(1, "The following parameter value is not valid: " << *name << ".");
     116//      break;
     117//    }
    116118  }
    117119}
  • src/builder_init.cpp

    rc09f94 r0d4168  
    164164{
    165165  MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow();
    166   try {
    167     mainWindow->display();
    168   } catch(ActionFailureException &e) {
    169     std::cerr << "Action " << *boost::get_error_info<ActionNameString>(e) << " has failed." << std::endl;
    170     World::getInstance().setExitFlag(5);
    171   }
     166  mainWindow->display();
    172167  delete mainWindow;
    173168}
  • tests/regression/Atoms/Add/testsuite-atoms-add.at

    rc09f94 r0d4168  
    5353AT_SETUP([Atoms - adding outside boundary fails])
    5454AT_KEYWORDS([atoms boundary add-atom])
    55 AT_XFAIL_IF([/bin/true])
    5655
    57 AT_CHECK([../../molecuilder -i test2.conf -o mpqc pcp xyz tremolo pdb --set-boundary-conditions "Ignore,Ignore,Ignore" -a 1 --domain-position "0., 0., -1."], 134, [ignore], [ignore])
     56AT_CHECK([../../molecuilder -i test2.conf -o mpqc pcp xyz tremolo pdb --set-boundary-conditions "Ignore,Ignore,Ignore" -a 1 --domain-position "0., 0., -1."], 5, [ignore], [ignore])
    5857
    5958AT_CLEANUP
  • tests/regression/Options/Session/testsuite-options-load-session-python.at

    rc09f94 r0d4168  
    1919
    2020AT_SETUP([Standard Options - load session])
    21 AT_KEYWORDS([options load-session])
    22 AT_TESTED([python diff])
    23 AT_SKIP_IF([../../molecuilder --load-session dummy.py; if test $? -eq 5; then /bin/false; else /bin/true; fi])
     21AT_KEYWORDS([options python load-session])
     22AT_TESTED([python diff grep])
     23AT_SKIP_IF([../../molecuilder --help --actionname load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
    2424
    2525# check that session is stored and can be executed when correctly prefixed
     
    3232
    3333AT_SETUP([Standard Options - load complex session])
    34 AT_KEYWORDS([options load-session])
    35 AT_TESTED([python diff])
    36 AT_SKIP_IF([../../molecuilder --load-session dummy.py; if test $? -eq 5; then /bin/false; else /bin/true; fi])
     34AT_KEYWORDS([options python load-session])
     35AT_TESTED([python diff grep])
     36AT_SKIP_IF([../../molecuilder --help --actionname load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
    3737
    3838# check that session is stored and can be executed when correctly prefixed
  • tests/regression/Options/Session/testsuite-options-store-session-python.at

    rc09f94 r0d4168  
    1919
    2020AT_SETUP([Standard Options - store session as Python])
    21 AT_KEYWORDS([options store-session])
    22 AT_TESTED([python diff])
    23 AT_SKIP_IF([../../molecuilder --load-session dummy.py; if test $? -eq 5; then /bin/false; else /bin/true; fi])
     21AT_KEYWORDS([options python store-session])
     22AT_TESTED([python diff grep])
     23AT_SKIP_IF([../../molecuilder --help --actionname load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
    2424
    2525# check that session is stored and can be executed when correctly prefixed
     
    3232
    3333AT_SETUP([Standard Options - store complex session as Python])
    34 AT_KEYWORDS([options store-session])
    35 AT_TESTED([python diff])
    36 AT_SKIP_IF([../../molecuilder --load-session dummy.py; if test $? -eq 5; then /bin/false; else /bin/true; fi])
     34AT_KEYWORDS([options python store-session])
     35AT_TESTED([python diff grep])
     36AT_SKIP_IF([../../molecuilder --help --actionname load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
    3737
    3838# check that session is stored and can be executed when correctly prefixed
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