Changeset af9b9ff for src/Fragmentation


Ignore:
Timestamp:
Jul 2, 2012, 8:32:06 AM (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:
e48f5c
Parents:
267b8d
git-author:
Frederik Heber <heber@…> (05/03/12 12:46:59)
git-committer:
Frederik Heber <heber@…> (07/02/12 08:32:06)
Message:

Controller now also uses boost::program_options to parse command line options.

  • also we now cleanly check whether each command has its required arguments before making any connections to the server. Hence, nothing can be lost.
  • TESTFIX: Changed regression tests due to changed controller calling signature.
  • TESTFIX: regression test Fragmenation/Automation mpqc-jobs uses removeall instead of giving kill.
Location:
src/Fragmentation/Automation
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • src/Fragmentation/Automation/Makefile.am

    r267b8d raf9b9ff  
    147147  $(BOOST_ASIO_LIBS) \
    148148  $(BOOST_SERIALIZATION_LIBS) \
     149  $(BOOST_PROGRAM_OPTIONS_LIBS) \
    149150  $(BOOST_THREAD_LIBS) \
    150151  $(BOOST_SYSTEM_LIBS) \

  • src/Fragmentation/Automation/controller.cpp

    r267b8d raf9b9ff  
    2929#include <boost/archive/text_oarchive.hpp>
    3030#include <boost/archive/text_iarchive.hpp>
     31#include <boost/program_options.hpp>
    3132#include <fstream>
    3233#include <iostream>
    … …  
    324325  CommandsMap.insert( std::make_pair("removeall", RemoveAllIndex) );
    325326  CommandsMap.insert( std::make_pair("shutdown", ShutdownIndex) );
     327  std::vector<std::string> Commands;
     328  for (CommandsMap_t::const_iterator iter = CommandsMap.begin(); iter != CommandsMap.end(); ++iter)
     329    Commands.push_back(iter->first);
     330
     331  // Declare the supported options.
     332  boost::program_options::options_description desc("Allowed options");
     333  desc.add_options()
     334      ("help,h", "produce help message")
     335      ("verbosity,v", boost::program_options::value<size_t>(), "set verbosity level")
     336      ("server", boost::program_options::value< std::string >(), "connect to server at this address (host:port)")
     337      ("command", boost::program_options::value< std::string >(), (std::string("command to send to server: ")+toString(Commands)).c_str())
     338      ("executable", boost::program_options::value< std::string >(), "executable for commands 'addjobs' and 'createjobs'")
     339      ("fragment-path", boost::program_options::value< std::string >(), "path to fragment files for 'receivempqcresults'")
     340      ("jobcommand", boost::program_options::value< std::string >(), "command argument for executable for 'createjobs'")
     341      ("jobfiles", boost::program_options::value< std::vector< std::string > >()->multitoken(), "list of files as single argument to executable for 'addjobs'")
     342  ;
     343
     344  boost::program_options::variables_map vm;
     345  boost::program_options::store(boost::program_options::parse_command_line(argc, argv, desc), vm);
     346  boost::program_options::notify(vm);
     347
     348  if (vm.count("help")) {
     349    std::cout << desc << "\n";
     350    return 1;
     351  }
     352
     353  if (vm.count("verbosity")) {
     354    LOG(0, "STATUS: Verbosity level was set to " << vm["verbosity"].as<size_t>() << ".");
     355    setVerbosity(vm["verbosity"].as<size_t>());
     356  } else {
     357    LOG(0, "STATUS: Verbosity level was not set, defaulting to 5.");
     358    setVerbosity(5);
     359  }
     360
     361  std::string server;
     362  std::string serverport;
     363  if (vm.count("server")) {
     364    server = vm["server"].as< std::string >();
     365    serverport = server.substr(server.find_last_of(':')+1, std::string::npos);
     366    server = server.substr(0, server.find_last_of(':'));
     367    try {
     368      boost::lexical_cast<size_t>(serverport);
     369    } catch (boost::bad_lexical_cast) {
     370      ELOG(1, "Could not interpret " << serverport << " as server:port.");
     371      return 255;
     372    }
     373    LOG(1, "INFO: Using " << server << ":" << serverport << " as server's address.");
     374  } else {
     375    ELOG(1, "Requiring server's address (host:port) to connect to.");
     376    return 255;
     377  }
     378
     379  if (!vm.count("command")) {
     380    ELOG(1, "Controller requires one of the following commands: "+toString(Commands));
     381    return 255;
     382  }
     383  const std::string command = vm["command"].as< std::string >();
     384  const CommandIndices commandIndex = getCommandIndex(CommandsMap, command);
     385
     386  // check arguments
     387  switch(commandIndex) {
     388    case AddJobsIndex:
     389      if (!vm.count("executable") && !vm.count("jobfiles")) {
     390        ELOG(1, "'"+command+"' requires at least two options: [executable] [list of input files ...].");
     391        return 255;
     392      }
     393      break;
     394    case CreateJobsIndex:
     395      if (!vm.count("executable") && !vm.count("jobcommand")) {
     396        ELOG(1, "'"+command+"' requires two options: [executable] [jobcommand].");
     397        return 255;
     398      }
     399      break;
     400    case CheckResultsIndex:
     401      break;
     402    case ReceiveResultsIndex:
     403      break;
     404    case ReceiveMPQCIndex:
     405      if (!vm.count("fragment-path")) {
     406        ELOG(1, "'"+command+"' require one option: [path to fragment files].");
     407        return 255;
     408      }
     409      break;
     410    case RemoveAllIndex:
     411      break;
     412    case ShutdownIndex:
     413      break;
     414    case UnknownCommandIndex:
     415    default:
     416      ELOG(1, "Unrecognized command '"+toString(command)+"'.");
     417      return 255;
     418      break;
     419  }
     420
    326421  try
    327422  {
    328     // Check command line arguments.
    329     if (argc < 4)
    330     {
    331       std::cerr << "Usage: " << argv[0] << " <host> <port> <command> [options to command]" << std::endl;
    332       std::cerr << "List of available commands:" << std::endl;
    333       for(CommandsMap_t::const_iterator iter = CommandsMap.begin();
    334           iter != CommandsMap.end(); ++iter) {
    335         std::cerr << "\t" << iter->first << std::endl;
    336       }
    337       return false;
    338     }
    339423
    340424    boost::asio::io_service io_service;
    … …  
    343427    // Initial phase: information gathering from server
    344428
    345     switch(getCommandIndex(CommandsMap, argv[3])) {
     429    switch(commandIndex) {
    346430      case AddJobsIndex:
    347       {
    348         if (argc < 6) {
    349           ELOG(1, "'addjobs' requires at least two options: [mpqc] [list of input files ...].");
    350           return 255;
    351         } else {
    352           // get an id for every filename
    353           controller.requestIds(argv[1], argv[2], argc-5);
    354         }
    355         break;
    356       }
     431        controller.requestIds(server, serverport, vm["jobfiles"].as< std::vector<std::string> >().size());
     432        break;
    357433      case CreateJobsIndex:
    358       {
    359         std::vector<FragmentJob::ptr> jobs;
    360         if (argc < 6) {
    361           return 255;
    362           ELOG(1, "'createjobs' requires two options: [command] [argument].");
    363         } else {
    364           controller.requestIds(argv[1], argv[2], 1);
    365         }
    366         break;
    367       }
     434        controller.requestIds(server, serverport, 1);
     435        break;
    368436      case CheckResultsIndex:
    369437        break;
    … …  
    371439        break;
    372440      case ReceiveMPQCIndex:
    373         if (argc < 5) {
    374           ELOG(1, "'receivempqc' require one option: [path to fragment files].");
    375           return 255;
    376         }
    377441        break;
    378442      case RemoveAllIndex:
    … …  
    382446      case UnknownCommandIndex:
    383447      default:
    384         ELOG(1, "Unrecognized command '"+toString(argv[3])+"'.");
     448        ELOG(0, "Unrecognized command '"+toString(command)+"'.");
    385449        return 255;
    386450        break;
    … …  
    395459    // Second phase: Building jobs and sending information to server
    396460
    397     switch(getCommandIndex(CommandsMap, argv[3])) {
     461    switch(commandIndex) {
    398462      case AddJobsIndex:
    399463      {
    400464        std::vector<FragmentJob::ptr> jobs;
    401         const std::string command(argv[4]);
    402         for (int argcount = 5; argcount < argc; ++argcount) {
     465        const std::string executable(vm["executable"].as< std::string >());
     466        const std::vector< std::string > jobfiles = vm["jobfiles"].as< std::vector< std::string > >();
     467        for (std::vector< std::string >::const_iterator iter = jobfiles.begin();
     468            iter != jobfiles.end(); ++iter) {
    403469          const JobId_t next_id = controller.getAvailableId();
    404           const std::string filename(argv[argcount]);
     470          const std::string &filename = *iter;
    405471          LOG(1, "INFO: Creating MPQCCommandJob with filename'"
    406472              +filename+"', and id "+toString(next_id)+".");
    407           parsejob(jobs, command, filename, next_id);
     473          parsejob(jobs, executable, filename, next_id);
    408474        }
    409475        controller.addJobs(jobs);
    410         controller.sendJobs(argv[1], argv[2]);
     476        controller.sendJobs(server, serverport);
    411477        break;
    412478      }
    … …  
    415481        const JobId_t next_id = controller.getAvailableId();
    416482        std::vector<FragmentJob::ptr> jobs;
    417         createjobs(jobs, argv[4], argv[5], next_id);
     483        const std::string executable = vm["executable"].as< std::string >();
     484        const std::string jobcommand = vm["jobcommand"].as< std::string >();
     485        createjobs(jobs, executable, jobcommand, next_id);
    418486        controller.addJobs(jobs);
    419         controller.sendJobs(argv[1], argv[2]);
     487        controller.sendJobs(server, serverport);
    420488        break;
    421489      }
    422490      case CheckResultsIndex:
    423       {
    424         controller.checkResults(argv[1], argv[2]);
    425         break;
    426       }
     491        controller.checkResults(server, serverport);
     492        break;
    427493      case ReceiveResultsIndex:
    428       {
    429         controller.receiveResults(argv[1], argv[2]);
    430         break;
    431       }
    432494      case ReceiveMPQCIndex:
    433       {
    434         controller.receiveResults(argv[1], argv[2]);
    435         break;
    436       }
     495        controller.receiveResults(server, serverport);
     496        break;
    437497      case RemoveAllIndex:
    438       {
    439         controller.removeall(argv[1], argv[2]);
    440         break;
    441       }
     498        controller.removeall(server, serverport);
     499        break;
    442500      case ShutdownIndex:
    443       {
    444         controller.shutdown(argv[1], argv[2]);
    445         break;
    446       }
     501        controller.shutdown(server, serverport);
     502        break;
    447503      case UnknownCommandIndex:
    448504      default:
    449         ELOG(0, "Unrecognized command '"+toString(argv[3])+"'.");
     505        ELOG(0, "Unrecognized command '"+toString(command)+"'.");
    450506        return 255;
    451507        break;
    … …  
    460516    // Final phase: Print result of command
    461517
    462     switch(getCommandIndex(CommandsMap, argv[3])) {
     518    switch(commandIndex) {
    463519      case AddJobsIndex:
    464520      case CreateJobsIndex:
    465521        break;
    466522      case CheckResultsIndex:
    467       {
    468523        controller.printDoneJobs();
    469524        break;
    470       }
    471525      case ReceiveResultsIndex:
    472526      {
    … …  
    477531      case ReceiveMPQCIndex:
    478532      {
    479         const std::string path = argv[4];
     533        const std::string path = vm["fragment-path"].as< std::string >();
    480534        LOG(1, "INFO: Parsing fragment files from " << path << ".");
    481535        std::vector<FragmentResult::ptr> results = controller.getReceivedResults();
    … …  
    492546      case UnknownCommandIndex:
    493547      default:
    494         ELOG(0, "Unrecognized command '"+toString(argv[3])+"'.");
     548        ELOG(0, "Unrecognized command '"+toString(command)+"'.");
    495549        return 255;
    496550        break;
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