Ignore:
Timestamp:
Jul 28, 2010, 9:21:14 AM (15 years ago)
Author:
Tillmann Crueger <crueger@…>
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, Candidate_v1.7.0, Candidate_v1.7.1, 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:
400170, a7b777c
Parents:
7067bd6 (diff), 0430e3 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'stable' into StructureRefactoring

Conflicts:

src/Makefile.am

File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/WorldAction/InputAction.cpp

    r7067bd6 r677e13  
    99
    1010#include "Actions/WorldAction/InputAction.hpp"
     11#include "Actions/ActionRegistry.hpp"
    1112#include "log.hpp"
    1213#include "molecule.hpp"
     
    2324#include "UIElements/UIFactory.hpp"
    2425#include "UIElements/Dialog.hpp"
    25 #include "Actions/MapOfActions.hpp"
     26#include "UIElements/ValueStorage.hpp"
    2627
    2728const char WorldInputAction::NAME[] = "input";
     
    3435{}
    3536
     37void WorldInput(std::string &filename) {
     38  ValueStorage::getInstance().setCurrentValue(WorldInputAction::NAME, filename);
     39  ActionRegistry::getInstance().getActionByName(WorldInputAction::NAME)->call(Action::NonInteractive);
     40};
     41
     42Dialog* WorldInputAction::createDialog() {
     43  Dialog *dialog = UIFactory::getInstance().makeDialog();
     44
     45  dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
     46
     47  return dialog;
     48}
     49
    3650Action::state_ptr WorldInputAction::performCall() {
    37   Dialog *dialog = UIFactory::getInstance().makeDialog();
    3851  MoleculeListClass *molecules = World::getInstance().getMolecules();
    3952  molecule *mol = NULL;
     
    4154  std::ifstream test;
    4255
    43   dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
     56  ValueStorage::getInstance().queryCurrentValue(NAME, filename);
    4457
    45   if(dialog->display()) {
    46     DoLog(0) && (Log() << Verbose(0) << "Config file given." << endl);
    47     if (filename.find('.') != string::npos) {
    48       std::string FilenamePrefix = filename.substr(0,filename.find_last_of('.'));
    49       std::string FilenameSuffix = filename.substr(filename.find_last_of('.')+1, filename.length());
    50       DoLog(1) && (Log() << Verbose(1) << "Setting config file name prefix to " << FilenamePrefix << "." << endl);
    51       test.open(filename.c_str());
    52       if (test == NULL) {
    53         DoLog(1) && (Log() << Verbose(1) << "Specified config file " << filename << " not found." << endl);
    54       } else {
    55         DoLog(1) && (Log() << Verbose(1) << "Specified config file found, parsing ... ");
    56         FormatParserStorage::getInstance().get((std::istream &)test, FilenameSuffix);
    57         test.close();
    58       }
    59       FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix);
    60       // set mol to first active molecule
    61       if (molecules->ListOfMolecules.size() != 0) {
    62         for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
    63           if ((*ListRunner)->ActiveFlag) {
    64             mol = *ListRunner;
    65             break;
    66           }
    67       }
    68       if (mol == NULL) {
    69         mol = World::getInstance().createMolecule();
    70         mol->ActiveFlag = true;
    71         molecules->insert(mol);
    72       }
    73       mol->SetNameFromFilename(filename.substr(0,filename.find('.')).c_str());
     58  DoLog(0) && (Log() << Verbose(0) << "Config file given." << endl);
     59  if (filename.find('.') != string::npos) {
     60    std::string FilenamePrefix = filename.substr(0,filename.find_last_of('.'));
     61    std::string FilenameSuffix = filename.substr(filename.find_last_of('.')+1, filename.length());
     62    DoLog(1) && (Log() << Verbose(1) << "Setting config file name prefix to " << FilenamePrefix << "." << endl);
     63    test.open(filename.c_str());
     64    if (test == NULL) {
     65      DoLog(1) && (Log() << Verbose(1) << "Specified config file " << filename << " not found." << endl);
    7466    } else {
    75       DoeLog(1) && (eLog() << Verbose(1) << "Input file does not have a suffix, cannot recognize format." << endl);
     67      DoLog(1) && (Log() << Verbose(1) << "Specified config file found, parsing ... ");
     68      FormatParserStorage::getInstance().get((std::istream &)test, FilenameSuffix);
     69      test.close();
    7670    }
    77     delete dialog;
    78     return Action::success;
     71    FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix);
     72    // set mol to first active molecule
     73    if (molecules->ListOfMolecules.size() != 0) {
     74      for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
     75        if ((*ListRunner)->ActiveFlag) {
     76          mol = *ListRunner;
     77          break;
     78        }
     79    }
     80    if (mol == NULL) {
     81      mol = World::getInstance().createMolecule();
     82      mol->ActiveFlag = true;
     83      molecules->insert(mol);
     84    }
     85    mol->SetNameFromFilename(filename.substr(0,filename.find('.')).c_str());
    7986  } else {
    80     delete dialog;
    81     return Action::failure;
     87    DoeLog(1) && (eLog() << Verbose(1) << "Input file does not have a suffix, cannot recognize format." << endl);
    8288  }
     89  return Action::success;
    8390}
    8491
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