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
        Candidate_v1.7.0
        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
      
      
        
          | 
            Last change
 on this file since ba995d was             d920b9, checked in by Frederik Heber <heber@…>, 13 years ago           | 
        
        
          | 
             
Abstracted FragmentJob and introduced SystemCommandJob which has its former functionality. 
 
- FragmentJob now has just virtual function Work(), not implemented.
 - former command and outputfile is taken over by SystemCommandJob.
 - a FragmentJob or derived class is default cstor'ed always with
JobId::IllegalJob.
 - so far SystemCommandJob captures command's stdout and parses it back from
file. We use mkstemps() for creating a random file and popen() to pipe stdout
directly. For this we require boost::iostreams and ::filesystem.
 - SystemCommandJob has virtual method extractString() to be adaptable to the
output of various system commands.
 - changes almost everywhere due to SystemCommandJob taking place of
FragmentJob and FragmentJob::ptr and FragmentResult::ptr requirements.
 - added FragmentWorker::dummyInit() to enforce binding of the executable to
all possible derived FragmentJob's.
 - added unit test for SystemCommandJob.
 - added FragmentJobStub that implements a no-brainer job for testing.
 - NOTE: boost::iostreams is incompatible with MemDebug due to placement new.
  
           | 
        
        
          
            
              - 
Property                 mode
 set to                 
100644
               
             
           | 
        
        
          | 
            File size:
            1.4 KB
           | 
        
      
      
| Line |   | 
|---|
| 1 | /*
 | 
|---|
| 2 |  * Project: MoleCuilder
 | 
|---|
| 3 |  * Description: creates and alters molecular systems
 | 
|---|
| 4 |  * Copyright (C)  2011 University of Bonn. All rights reserved.
 | 
|---|
| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | /*
 | 
|---|
| 9 |  * \file Worker.cpp
 | 
|---|
| 10 |  *
 | 
|---|
| 11 |  * This file strongly follows the Serialization example from the boost::asio
 | 
|---|
| 12 |  * library (see client.cpp)
 | 
|---|
| 13 |  *
 | 
|---|
| 14 |  *  Created on: Oct 19, 2011
 | 
|---|
| 15 |  *      Author: heber
 | 
|---|
| 16 |  */
 | 
|---|
| 17 | 
 | 
|---|
| 18 | 
 | 
|---|
| 19 | // include config.h
 | 
|---|
| 20 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 21 | #include <config.h>
 | 
|---|
| 22 | #endif
 | 
|---|
| 23 | 
 | 
|---|
| 24 | // boost asio needs specific operator new
 | 
|---|
| 25 | #include <boost/asio.hpp>
 | 
|---|
| 26 | 
 | 
|---|
| 27 | #include "CodePatterns/MemDebug.hpp"
 | 
|---|
| 28 | 
 | 
|---|
| 29 | #include <iostream>
 | 
|---|
| 30 | 
 | 
|---|
| 31 | #include "atexit.hpp"
 | 
|---|
| 32 | #include "CodePatterns/Info.hpp"
 | 
|---|
| 33 | #include "CodePatterns/Log.hpp"
 | 
|---|
| 34 | #include "FragmentWorker.hpp"
 | 
|---|
| 35 | 
 | 
|---|
| 36 | 
 | 
|---|
| 37 | int main(int argc, char* argv[])
 | 
|---|
| 38 | {
 | 
|---|
| 39 |   // from this moment on, we need to be sure to deeinitialize in the correct order
 | 
|---|
| 40 |   // this is handled by the cleanup function
 | 
|---|
| 41 |   atexit(cleanUp);
 | 
|---|
| 42 | 
 | 
|---|
| 43 |   setVerbosity(5);
 | 
|---|
| 44 | 
 | 
|---|
| 45 |   size_t Exitflag = 0;
 | 
|---|
| 46 |   try
 | 
|---|
| 47 |   {
 | 
|---|
| 48 |     // Check command line arguments.
 | 
|---|
| 49 |     if (argc != 3)
 | 
|---|
| 50 |     {
 | 
|---|
| 51 |       std::cerr << "Usage: " << argv[0] << " <host> <port>" << std::endl;
 | 
|---|
| 52 |       return 1;
 | 
|---|
| 53 |     }
 | 
|---|
| 54 | 
 | 
|---|
| 55 |     boost::asio::io_service io_service;
 | 
|---|
| 56 |     FragmentWorker client(io_service, argv[1], argv[2]);
 | 
|---|
| 57 |     {
 | 
|---|
| 58 |       Info info("io_service");
 | 
|---|
| 59 |       io_service.run();
 | 
|---|
| 60 |     }
 | 
|---|
| 61 |     Exitflag = client.getExitflag();
 | 
|---|
| 62 |   }
 | 
|---|
| 63 |   catch (std::exception& e)
 | 
|---|
| 64 |   {
 | 
|---|
| 65 |     std::cerr << e.what() << std::endl;
 | 
|---|
| 66 |   }
 | 
|---|
| 67 | 
 | 
|---|
| 68 | 
 | 
|---|
| 69 |   return Exitflag;
 | 
|---|
| 70 | }
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.