Ignore:
Timestamp:
Oct 25, 2010, 5:16:19 PM (14 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:
573ca5, b295ca
Parents:
57a6ea1
git-author:
Frederik Heber <heber@…> (10/25/10 17:11:33)
git-committer:
Frederik Heber <heber@…> (10/25/10 17:16:19)
Message:

Split off all ...Query and ...Pipe boilerplate classes.

  • each subclass in the dialog nor resides in its own file in a folder called Query (or Pipe).
  • only submoduled (no header files created, except for templated QtQueryListPipe class)
  • includes have been separated
Location:
src/UIElements/CommandLineUI
Files:
18 added
1 edited

Legend:

Unmodified
Added
Removed

  • src/UIElements/CommandLineUI/CommandLineDialog.cpp

    r57a6ea1 r8df74d  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include <iostream>
    23 #include <vector>
    24 
    25 #include <Descriptors/AtomDescriptor.hpp>
    26 #include <Descriptors/AtomIdDescriptor.hpp>
    27 #include <Descriptors/MoleculeDescriptor.hpp>
    28 #include <Descriptors/MoleculeIdDescriptor.hpp>
    2922#include "CommandLineUI/CommandLineDialog.hpp"
    3023
    31 #include "Actions/Values.hpp"
    32 
    33 #include "element.hpp"
    34 #include "periodentafel.hpp"
    35 #include "CommandLineParser.hpp"
    36 #include "defs.hpp"
    37 #include "Helpers/Log.hpp"
    38 #include "LinearAlgebra/Matrix.hpp"
    39 #include "periodentafel.hpp"
    40 #include "Helpers/Verbose.hpp"
    41 #include "World.hpp"
    42 #include "Box.hpp"
    43 
    44 #include "atom.hpp"
    45 #include "element.hpp"
    46 #include "molecule.hpp"
    47 #include "LinearAlgebra/Vector.hpp"
    4824
    4925using namespace std;
    … …  
    132108
    133109/************************** Query Infrastructure ************************/
    134 
    135 CommandLineDialog::EmptyCommandLineQuery::EmptyCommandLineQuery(string title, string _description) :
    136     Dialog::EmptyQuery(title, _description)
    137 {}
    138 
    139 CommandLineDialog::EmptyCommandLineQuery::~EmptyCommandLineQuery() {}
    140 
    141 bool CommandLineDialog::EmptyCommandLineQuery::handle() {
    142   cout << "Message of " << getTitle() << ":\n" << getDescription() << "\n";
    143   return true;
    144 }
    145 
    146 CommandLineDialog::IntCommandLineQuery::IntCommandLineQuery(string title, string _description) :
    147     Dialog::IntQuery(title, _description)
    148 {}
    149 
    150 CommandLineDialog::IntCommandLineQuery::~IntCommandLineQuery() {}
    151 
    152 bool CommandLineDialog::IntCommandLineQuery::handle() {
    153   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    154     tmp = CommandLineParser::getInstance().vm[getTitle()].as<int>();
    155     return true;
    156   } else {
    157     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing integer for " << getTitle() << "." << endl);
    158     return false;
    159   }
    160 }
    161 
    162 CommandLineDialog::IntsCommandLineQuery::IntsCommandLineQuery(string title, string _description) :
    163     Dialog::IntsQuery(title, _description)
    164 {}
    165 
    166 CommandLineDialog::IntsCommandLineQuery::~IntsCommandLineQuery() {}
    167 
    168 bool CommandLineDialog::IntsCommandLineQuery::handle() {
    169   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    170     tmp = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
    171     return true;
    172   } else {
    173     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing integers for " << getTitle() << "." << endl);
    174     return false;
    175   }
    176 }
    177 
    178 CommandLineDialog::BooleanCommandLineQuery::BooleanCommandLineQuery(string title, string _description) :
    179     Dialog::BooleanQuery(title, _description)
    180 {}
    181 
    182 CommandLineDialog::BooleanCommandLineQuery::~BooleanCommandLineQuery() {}
    183 
    184 bool CommandLineDialog::BooleanCommandLineQuery::handle() {
    185   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    186     tmp = CommandLineParser::getInstance().vm[getTitle()].as<bool>();
    187     return true;
    188   } else {
    189     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing boolean for " << getTitle() << "." << endl);
    190     return false;
    191   }
    192 }
    193 
    194 CommandLineDialog::StringCommandLineQuery::StringCommandLineQuery(string title, string _description) :
    195     Dialog::StringQuery(title, _description)
    196 {}
    197 
    198 CommandLineDialog::StringCommandLineQuery::~StringCommandLineQuery() {}
    199 
    200 bool CommandLineDialog::StringCommandLineQuery::handle() {
    201   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    202     tmp = CommandLineParser::getInstance().vm[getTitle()].as<string>();
    203     return true;
    204   } else {
    205     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing string for " << getTitle() << "." << endl);
    206     return false;
    207   }
    208 }
    209 
    210 CommandLineDialog::StringsCommandLineQuery::StringsCommandLineQuery(string title, string _description) :
    211     Dialog::StringsQuery(title, _description)
    212 {}
    213 
    214 CommandLineDialog::StringsCommandLineQuery::~StringsCommandLineQuery() {}
    215 
    216 bool CommandLineDialog::StringsCommandLineQuery::handle() {
    217   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    218     tmp = CommandLineParser::getInstance().vm[getTitle()].as< vector<string> >();
    219     return true;
    220   } else {
    221     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing strings for " << getTitle() << "." << endl);
    222     return false;
    223   }
    224 }
    225 
    226 CommandLineDialog::DoubleCommandLineQuery::DoubleCommandLineQuery(string title, string _description) :
    227     Dialog::DoubleQuery(title, _description)
    228 {}
    229 
    230 CommandLineDialog::DoubleCommandLineQuery::~DoubleCommandLineQuery() {}
    231 
    232 bool CommandLineDialog::DoubleCommandLineQuery::handle() {
    233   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    234     tmp = CommandLineParser::getInstance().vm[getTitle()].as<double>();
    235     return true;
    236   } else {
    237     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing double for " << getTitle() << "." << endl);
    238     return false;
    239   }
    240 }
    241 
    242 CommandLineDialog::DoublesCommandLineQuery::DoublesCommandLineQuery(string title, string _description) :
    243     Dialog::DoublesQuery(title, _description)
    244 {}
    245 
    246 CommandLineDialog::DoublesCommandLineQuery::~DoublesCommandLineQuery() {}
    247 
    248 bool CommandLineDialog::DoublesCommandLineQuery::handle() {
    249   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    250     tmp = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<double> >();
    251     return true;
    252   } else {
    253     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing doubles for " << getTitle() << "." << endl);
    254     return false;
    255   }
    256 }
    257 
    258 CommandLineDialog::AtomCommandLineQuery::AtomCommandLineQuery(string title, string _description) :
    259     Dialog::AtomQuery(title, _description)
    260 {}
    261 
    262 CommandLineDialog::AtomCommandLineQuery::~AtomCommandLineQuery() {}
    263 
    264 bool CommandLineDialog::AtomCommandLineQuery::handle() {
    265   int IdxOfAtom = -1;
    266   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    267     IdxOfAtom = CommandLineParser::getInstance().vm[getTitle()].as<int>();
    268     tmp = World::getInstance().getAtom(AtomById(IdxOfAtom));
    269     return true;
    270   } else {
    271     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing atom for " << getTitle() << "." << endl);
    272     return false;
    273   }
    274 }
    275 
    276 CommandLineDialog::AtomsCommandLineQuery::AtomsCommandLineQuery(string title, string _description) :
    277     Dialog::AtomsQuery(title, _description)
    278 {}
    279 
    280 CommandLineDialog::AtomsCommandLineQuery::~AtomsCommandLineQuery() {}
    281 
    282 bool CommandLineDialog::AtomsCommandLineQuery::handle() {
    283   std::vector<int> IdxOfAtom;
    284   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    285     IdxOfAtom = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
    286     for (std::vector<int>::iterator iter = IdxOfAtom.begin(); iter != IdxOfAtom.end(); ++iter) {
    287       temp = World::getInstance().getAtom(AtomById(*iter));
    288       if (temp)
    289         tmp.push_back(temp);
    290     }
    291     return true;
    292   } else {
    293     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing atoms for " << getTitle() << "." << endl);
    294     return false;
    295   }
    296 }
    297 
    298 CommandLineDialog::MoleculeCommandLineQuery::MoleculeCommandLineQuery(string title, string _description) :
    299     Dialog::MoleculeQuery(title, _description)
    300 {}
    301 
    302 CommandLineDialog::MoleculeCommandLineQuery::~MoleculeCommandLineQuery() {}
    303 
    304 bool CommandLineDialog::MoleculeCommandLineQuery::handle() {
    305   int IdxOfMol = -1;
    306   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    307     IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as<int>();
    308     tmp = World::getInstance().getMolecule(MoleculeById(IdxOfMol));
    309     return true;
    310   } else {
    311     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing molecule for " << getTitle() << "." << endl);
    312     return false;
    313   }
    314 }
    315 
    316 CommandLineDialog::MoleculesCommandLineQuery::MoleculesCommandLineQuery(string title, string _description) :
    317     Dialog::MoleculesQuery(title, _description)
    318 {}
    319 
    320 CommandLineDialog::MoleculesCommandLineQuery::~MoleculesCommandLineQuery() {}
    321 
    322 bool CommandLineDialog::MoleculesCommandLineQuery::handle() {
    323   std::vector<int> IdxOfMol;
    324   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    325     IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<int> >();
    326     for (std::vector<int>::iterator iter = IdxOfMol.begin(); iter != IdxOfMol.end(); ++iter) {
    327       temp = World::getInstance().getMolecule(MoleculeById(*iter));
    328       if (temp)
    329         tmp.push_back(temp);
    330     }
    331     return true;
    332   } else {
    333     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing molecules for " << getTitle() << "." << endl);
    334     return false;
    335   }
    336 }
    337 
    338 CommandLineDialog::VectorCommandLineQuery::VectorCommandLineQuery(string title, bool _check, string _description) :
    339     Dialog::VectorQuery(title,_check, _description)
    340 {}
    341 
    342 CommandLineDialog::VectorCommandLineQuery::~VectorCommandLineQuery()
    343 {}
    344 
    345 bool CommandLineDialog::VectorCommandLineQuery::handle() {
    346   VectorValue temp;
    347   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    348     temp = CommandLineParser::getInstance().vm[getTitle()].as< VectorValue >();
    349     tmp[0] = temp.x;
    350     tmp[1] = temp.y;
    351     tmp[2] = temp.z;
    352     if ((check) && (!World::getInstance().getDomain().isInside(tmp))) {
    353       DoeLog(1) && (eLog() << Verbose(1) << "Vector " << tmp << " would be outside of box domain." << endl);
    354       return false;
    355     }
    356     return true;
    357   } else {
    358     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing vector for " << getTitle() << "." << endl);
    359     return false;
    360   }
    361 }
    362 
    363 CommandLineDialog::VectorsCommandLineQuery::VectorsCommandLineQuery(string title, bool _check, string _description) :
    364     Dialog::VectorsQuery(title,_check, _description)
    365 {}
    366 
    367 CommandLineDialog::VectorsCommandLineQuery::~VectorsCommandLineQuery()
    368 {}
    369 
    370 bool CommandLineDialog::VectorsCommandLineQuery::handle() {
    371   std::vector<VectorValue> temporary;
    372   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    373     temporary = CommandLineParser::getInstance().vm[getTitle()].as< std::vector<VectorValue> >();
    374     for(std::vector<VectorValue>::iterator iter = temporary.begin(); iter != temporary.end(); ++iter) {
    375       temp[0] = (*iter).x;
    376       temp[1] = (*iter).y;
    377       temp[2] = (*iter).z;
    378       if ((!check) || (World::getInstance().getDomain().isInside(temp)))
    379         tmp.push_back(temp);
    380       else
    381         DoeLog(1) && (eLog() << Verbose(1) << "Vector " << temp << " would be outside of box domain." << endl);
    382     }
    383     return true;
    384   } else {
    385     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing vectors for " << getTitle() << "." << endl);
    386     return false;
    387   }
    388 }
    389 
    390 CommandLineDialog::BoxCommandLineQuery::BoxCommandLineQuery(string title, string _description) :
    391     Dialog::BoxQuery(title, _description)
    392 {}
    393 
    394 CommandLineDialog::BoxCommandLineQuery::~BoxCommandLineQuery()
    395 {}
    396 
    397 bool CommandLineDialog::BoxCommandLineQuery::handle() {
    398   BoxValue temp;
    399   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    400     temp = CommandLineParser::getInstance().vm[getTitle()].as< BoxValue >();
    401     Matrix M;
    402     M.set(0,0, temp.xx);
    403     M.set(0,1, temp.yx);
    404     M.set(0,2, temp.zx);
    405     M.set(1,0, temp.yx);
    406     M.set(1,1, temp.yy);
    407     M.set(1,2, temp.zy);
    408     M.set(2,0, temp.zx);
    409     M.set(2,1, temp.zy);
    410     M.set(2,2, temp.zz);
    411     tmp.setM(M);
    412     return true;
    413   } else {
    414     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing symmetric box matrix for " << getTitle() << "." << endl);
    415     return false;
    416   }
    417 }
    418 
    419 CommandLineDialog::ElementCommandLineQuery::ElementCommandLineQuery(string title, string _description) :
    420     Dialog::ElementQuery(title, _description)
    421 {}
    422 
    423 CommandLineDialog::ElementCommandLineQuery::~ElementCommandLineQuery()
    424 {}
    425 
    426 bool CommandLineDialog::ElementCommandLineQuery::handle() {
    427   // TODO: vector of ints and removing first is not correctly implemented yet. How to remove from a vector?
    428   periodentafel *periode = World::getInstance().getPeriode();
    429   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    430     int Z = CommandLineParser::getInstance().vm[getTitle()].as< int >();
    431     tmp = periode->FindElement(Z);
    432     ASSERT(tmp != NULL, "Invalid element specified in ElementCommandLineQuery");
    433     return true;
    434   } else {
    435     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing element for " << getTitle() << "." << endl);
    436     return false;
    437   }
    438 }
    439 
    440 CommandLineDialog::ElementsCommandLineQuery::ElementsCommandLineQuery(string title, string _description) :
    441     Dialog::ElementsQuery(title, _description)
    442 {}
    443 
    444 CommandLineDialog::ElementsCommandLineQuery::~ElementsCommandLineQuery()
    445 {}
    446 
    447 bool CommandLineDialog::ElementsCommandLineQuery::handle() {
    448   // TODO: vector of ints and removing first is not correctly implemented yet. How to remove from a vector?
    449   periodentafel *periode = World::getInstance().getPeriode();
    450   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    451     vector<int> AllElements = CommandLineParser::getInstance().vm[getTitle()].as< vector<int> >();
    452     for (vector<int>::iterator ZRunner = AllElements.begin(); ZRunner != AllElements.end(); ++ZRunner) {
    453       temp = periode->FindElement(*ZRunner);
    454       ASSERT(temp != NULL, "Invalid element specified in ElementCommandLineQuery");
    455       tmp.push_back(temp);
    456     }
    457     return true;
    458   } else {
    459     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing elements for " << getTitle() << "." << endl);
    460     return false;
    461   }
    462 }
    463 
    464 CommandLineDialog::FileCommandLineQuery::FileCommandLineQuery(string title, string _description) :
    465     Dialog::FileQuery(title, _description)
    466 {}
    467 
    468 CommandLineDialog::FileCommandLineQuery::~FileCommandLineQuery() {}
    469 
    470 bool CommandLineDialog::FileCommandLineQuery::handle() {
    471   if (CommandLineParser::getInstance().vm.count(getTitle())) {
    472     tmp = CommandLineParser::getInstance().vm[getTitle()].as< boost::filesystem::path >();
    473     return true;
    474   } else {
    475     DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing string for " << getTitle() << "." << endl);
    476     return false;
    477   }
    478 }
    479 
     110/*       ---> shifted to folder Query                                   */
     111/************************************************************************/
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