source: src/ControllerOptions_MPQCCommandJob.cpp@ 52575c

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
Last change on this file since 52575c was 103eb8, checked in by Frederik Heber <heber@…>, 12 years ago

Removed SystemCommandJob capabilities from src/controller while maintaining MPQCCommandJob.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * ControllerOptions_MPQCCommandJob.cpp
10 *
11 * Created on: Jun 6, 2012
12 * Author: heber
13 */
14
15
16// include config.h
17#ifdef HAVE_CONFIG_H
18#include <config.h>
19#endif
20
21#include "CodePatterns/MemDebug.hpp"
22
23#include "CodePatterns/Log.hpp"
24
25#include "ControllerOptions_MPQCCommandJob.hpp"
26
27int ControllerOptions_MPQCCommandJob::parseExecutable(boost::program_options::variables_map &vm) {
28 if (command == "addjobs") {
29 if (!vm.count("executable")) {
30 ELOG(1, "'"+command+"' requires two options: [executable] [jobcommand].");
31 return 255;
32 }
33 executable = vm["executable"].as< std::string >();
34 }
35 return 0;
36}
37
38int ControllerOptions_MPQCCommandJob::parseFragmentpath(boost::program_options::variables_map &vm) {
39 if (command == "receivempqc") {
40 if (!vm.count("fragment-path")) {
41 ELOG(1, "'"+command+"' requires two options: [fragment-path].");
42 return 255;
43 }
44 fragmentpath = vm["fragment-path"].as< std::string >();
45 }
46 return 0;
47}
48
49int ControllerOptions_MPQCCommandJob::parseJobfiles(boost::program_options::variables_map &vm) {
50 if (command == "addjobs") {
51 if (!vm.count("jobfiles")) {
52 ELOG(1, "'"+command+"' requires two options: [executable] [jobfiles].");
53 return 255;
54 }
55 jobfiles = vm["jobfiles"].as< std::vector<std::string> >();
56 }
57 return 0;
58}
59
Note: See TracBrowser for help on using the repository browser.