Changeset 9ee38b


Ignore:
Timestamp:
Aug 28, 2010, 12:52:58 AM (15 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:
b4fa106
Parents:
0b2ce9
git-author:
Frederik Heber <heber@…> (08/25/10 17:20:37)
git-committer:
Frederik Heber <heber@…> (08/28/10 00:52:58)
Message:

Extended macro framework.

Extensions:

  • all central definitions reside in .def files
    • This if file is necessary because we need the definitions at two places: hpp and cpp
    • And as we always use the same define names, we have to undefine them at the end of both (otherwise we get compiler warnings and are prone to dumb mistakes of forgotten defines seeming present)
  • the .hpp is just a very tiny header, that should be possible to batch- construct inside Makefile as well
  • .cpp includes some Action_...hpp files and implements the function

For later (i.e. when ActionRegistry becomes prototype copier)

  • instead of waiting for clone(), for now we simply call the prototype.
  • in the action command we must not yet prefix paramreferences with "params."

Changes:

  • Dialog::query<> is a template which is specialized for every present query...() function. We need it to automatize fillDialog()
  • all AnalysisAction's are now converted, i.e. framework is functional with parameters and queries (MolecularVolume had none).
Location:
src
Files:
5 added
1 deleted
19 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/Action_impl_header.hpp

    r0b2ce9 r9ee38b  
    1818#include <boost/preprocessor/seq/seq.hpp>
    1919#include <boost/preprocessor/seq/size.hpp>
     20#include <boost/preprocessor/seq/transform.hpp>
    2021
    2122// some derived names
    … …  
    2425#define STATE BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, State))
    2526#define PARAMS BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
    26 
     27#define PARAMSDOT BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
    2728
    2829// check if no lists given
    … …  
    7980#define value_print(z,n,command) \
    8081  ValueStorage::getInstance(). command (\
     82  BOOST_PP_SEQ_ELEM(n, tokens)\
     83  , \
     84  params.\
    8185  BOOST_PP_SEQ_ELEM(n, references)\
    82   , \
    83   BOOST_PP_SEQ_ELEM(n, tokens)\
    8486  );
    8587
    … …  
    106108  virtual const std::string getName();
    107109
    108   struct PARAMS;
     110  struct PARAMS : ActionParameters {
     111  #if BOOST_PP_NOT_EQUAL(MAXNOTOKENS,0)
     112  #define BOOST_PP_LOCAL_MACRO(n) type_print(~, n, ;)
     113  #define BOOST_PP_LOCAL_LIMITS  (0, MAXNOTOKENS-1)
     114  #include BOOST_PP_LOCAL_ITERATE()
     115  #undef BOOST_PP_LOCAL_MACRO
     116  #undef BOOST_PP_LOCAL_LIMITS
     117  #endif
     118  } params;
    109119
    110120protected:
    … …  
    119129};
    120130
     131#undef types
     132#undef tokens
     133#undef references
     134#undef MAXNOTOKENS
     135
     136#undef ACTION
     137#undef ACTIONNAME
     138#undef CATEGORY
     139#undef COMMAND
     140#undef COMMANDFULL
     141#undef PARAMS
     142#undef STATE
     143#undef TOKEN

  • src/Actions/Action_impl_pre.hpp

    r0b2ce9 r9ee38b  
    2323 */
    2424
     25
     26#include <boost/preprocessor/cat.hpp>
     27#include <boost/preprocessor/comparison/equal.hpp>
     28#include <boost/preprocessor/comparison/not_equal.hpp>
     29#include <boost/preprocessor/control/if.hpp>
     30#include <boost/preprocessor/debug/assert.hpp>
     31#include <boost/preprocessor/iteration/local.hpp>
     32#include <boost/preprocessor/punctuation/comma_if.hpp>
     33#include <boost/preprocessor/repetition/repeat.hpp>
     34#include <boost/preprocessor/seq/elem.hpp>
     35#include <boost/preprocessor/seq/push_back.hpp>
     36#include <boost/preprocessor/seq/seq.hpp>
     37#include <boost/preprocessor/seq/size.hpp>
     38#include <boost/preprocessor/seq/transform.hpp>
     39
     40// some derived names
     41#define ACTION BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Action))
     42#define COMMAND BOOST_PP_CAT(CATEGORY, ACTIONNAME)
     43#define STATE BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, State))
     44#define PARAMS BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
     45#define PARAMSDOT BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
     46
     47// check if no lists given
     48#ifndef types
     49#define MAXNOTOKENS 0
     50#else
     51#define MAXNOTOKENS BOOST_PP_SEQ_SIZE(types)
     52#endif
     53
     54// check user has given name and category
     55#ifndef CATEGORY
     56ERROR: No "CATEGORY" defined in: __FILE__
     57#endif
     58
     59#ifndef ACTIONNAME
     60ERROR: No "ACTIONNAME" defined in: __FILE__
     61#endif
     62
     63// calculate numbers and check whether all have same size
     64#ifdef tokens
     65BOOST_PP_ASSERT_MSG(BOOST_PP_EQUAL(MAXNOTOKENS, BOOST_PP_SEQ_SIZE(tokens)),\
     66  ERROR: There are not the same number of "tokens" and "types" in: __FILE__ \
     67)
     68#endif
     69#ifdef references
     70BOOST_PP_ASSERT_MSG(BOOST_PP_EQUAL(MAXNOTOKENS, BOOST_PP_SEQ_SIZE(references)),\
     71  ERROR: There are not the same number of "tokens" and "references" in: __FILE__ \
     72)
     73#endif
     74
     75// print a list of type ref followed by a separator, i.e. "int i;"
     76#define type_print(z,n,separator) \
     77  BOOST_PP_SEQ_ELEM(n, types) \
     78  BOOST_PP_SEQ_ELEM(n, references)\
     79  separator
     80
     81// print a list of type ref followed, i.e. "int i, double position"
     82#define type_list(z,n,unused) \
     83  BOOST_PP_COMMA_IF(n)\
     84  BOOST_PP_SEQ_ELEM(n, types) \
     85  BOOST_PP_SEQ_ELEM(n, references)
     86
     87// prints dialog->query calls for types with tokens
     88#define dialog_print(z,n,unused) \
     89  dialog->query<\
     90  BOOST_PP_SEQ_ELEM(n, types)\
     91  >(\
     92  BOOST_PP_SEQ_ELEM(n, tokens)\
     93  , ValueStorage::getInstance().getDescription(\
     94  BOOST_PP_SEQ_ELEM(n, tokens)\
     95  ));
     96
     97// prints set/queryCurrentValue (command) for paramreferences and paramtokens
     98#define value_print(z,n,command, prefix) \
     99  ValueStorage::getInstance(). command (\
     100  BOOST_PP_SEQ_ELEM(n, tokens)\
     101  , \
     102  prefix\
     103  BOOST_PP_SEQ_ELEM(n, references)\
     104  );
     105
     106#if BOOST_PP_NOT_EQUAL(MAXNOTOKENS,0)
     107#define COMMANDFULL \
     108void COMMAND( \
     109BOOST_PP_REPEAT(MAXNOTOKENS, type_list, ~) \
     110)
     111# else
     112#define COMMANDFULL void COMMAND()
     113#endif
     114
    25115#include "Actions/ActionRegistry.hpp"
    26116#include "UIElements/Dialog.hpp"
    27117#include "Actions/ValueStorage.hpp"
     118
    28119
    29120const char ACTION::NAME[] = TOKEN;
    … …  
    52143};
    53144
    54 struct PARAMS : ActionParameters {
     145COMMANDFULL
     146{
     147  ACTION::PARAMS params;
     148  Action *ToCall = ActionRegistry::getInstance().getActionByName( ACTION::NAME ); //->clone(params);
    55149#if BOOST_PP_NOT_EQUAL(MAXNOTOKENS,0)
    56 #define BOOST_PP_LOCAL_MACRO(n) type_print(~, n, ;)
     150#define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, setCurrentValue, )
    57151#define BOOST_PP_LOCAL_LIMITS  (0, MAXNOTOKENS-1)
    58152#include BOOST_PP_LOCAL_ITERATE()
    … …  
    60154#undef BOOST_PP_LOCAL_LIMITS
    61155#endif
     156  ToCall->call(Action::NonInteractive);
    62157};
    63158
    64 COMMANDFULL
    65 {
     159void ACTION::getParametersfromValueStorage() {
    66160#if BOOST_PP_NOT_EQUAL(MAXNOTOKENS,0)
    67 #define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, setCurrentValue)
    68 #define BOOST_PP_LOCAL_LIMITS  (0, MAXNOTOKENS-1)
    69 #include BOOST_PP_LOCAL_ITERATE()
    70 #undef BOOST_PP_LOCAL_MACRO
    71 #undef BOOST_PP_LOCAL_LIMITS
    72 #endif
    73         ActionRegistry::getInstance().getActionByName( ACTION::NAME )->call(Action::NonInteractive);
    74 };
    75 
    76 void AnalysisMolecularVolumeAction::getParametersfromValueStorage() {
    77 #if BOOST_PP_NOT_EQUAL(MAXNOTOKENS,0)
    78 #define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, queryCurrentValue)
     161#define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, queryCurrentValue, params.)
    79162#define BOOST_PP_LOCAL_LIMITS  (0, MAXNOTOKENS-1)
    80163#include BOOST_PP_LOCAL_ITERATE()
    … …  
    89172#undef MAXNOTOKENS
    90173
     174#undef ACTION
     175#undef ACTIONNAME
     176#undef CATEGORY
     177#undef COMMAND
     178#undef COMMANDFULL
     179#undef PARAMS
     180#undef STATE
     181#undef TOKEN

  • src/Actions/AnalysisAction/MolecularVolumeAction.cpp

    r0b2ce9 r9ee38b  
    3737
    3838// and construct the stuff
     39#include "MolecularVolumeAction.def"
    3940#include "Action_impl_pre.hpp"
    4041
    4142/** =========== define the function ====================== */
    42 Action::state_ptr ACTION::performCall() {
     43Action::state_ptr AnalysisMolecularVolumeAction::performCall() {
    4344  // obtain information
    4445  getParametersfromValueStorage();
    … …  
    6667}
    6768
    68 Action::state_ptr ACTION::performUndo(Action::state_ptr _state) {
     69Action::state_ptr AnalysisMolecularVolumeAction::performUndo(Action::state_ptr _state) {
    6970  return Action::success;
    7071}
    7172
    72 Action::state_ptr ACTION::performRedo(Action::state_ptr _state){
     73Action::state_ptr AnalysisMolecularVolumeAction::performRedo(Action::state_ptr _state){
    7374  return Action::success;
    7475}
    7576
    76 bool ACTION::canUndo() {
     77bool AnalysisMolecularVolumeAction::canUndo() {
    7778  return true;
    7879}
    7980
    80 bool ACTION::shouldUndo() {
     81bool AnalysisMolecularVolumeAction::shouldUndo() {
    8182  return true;
    8283}
    8384
    84 const string ACTION::getName() {
     85const string AnalysisMolecularVolumeAction::getName() {
    8586  return NAME;
    8687}
    8788/** =========== end of function ====================== */
    88 
    89 // and clean the stuff
    90 #include "Action_impl_post.hpp"

  • src/Actions/AnalysisAction/MolecularVolumeAction.hpp

    r0b2ce9 r9ee38b  
    1616#include "Actions/Action.hpp"
    1717
    18 // i.e. there is an integer with variable name Z that can be found in
    19 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
    20 // "undefine" if no parameters are required
    21 //#define types (int)
    22 //#define references (molID)
    23 //#define tokens (NAME)
    24 // some defines for all the names, you may use ACTION, STATE and PARAMS
    25 #define CATEGORY Analysis
    26 #define ACTIONNAME MolecularVolume
    27 #define TOKEN "molecular-volume"
    28 
    29 #include "Action_impl_header.hpp"
     18#include "MolecularVolumeAction.def"
     19#include "Actions/Action_impl_header.hpp"
    3020
    3121#endif /* MOLECULARVOLUMEACTION_HPP_ */

  • src/Actions/AnalysisAction/PairCorrelationAction.cpp

    r0b2ce9 r9ee38b  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include "Actions/AnalysisAction/PairCorrelationAction.hpp"
    23 #include "Actions/ActionRegistry.hpp"
    2422#include "analysis_correlation.hpp"
    2523#include "boundary.hpp"
    … …  
    3836using namespace std;
    3937
    40 #include "UIElements/UIFactory.hpp"
    41 #include "UIElements/Dialog.hpp"
    42 #include "Actions/ValueStorage.hpp"
     38#include "Actions/AnalysisAction/PairCorrelationAction.hpp"
    4339
    44 const char AnalysisPairCorrelationAction::NAME[] = "pair-correlation";
     40// and construct the stuff
     41#include "PairCorrelationAction.def"
     42#include "Action_impl_pre.hpp"
    4543
    46 AnalysisPairCorrelationAction::AnalysisPairCorrelationAction() :
    47   Action(NAME)
    48 {}
    49 
    50 AnalysisPairCorrelationAction::~AnalysisPairCorrelationAction()
    51 {}
    52 
    53 void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, string &outputname, string &binoutputname, bool periodic) {
    54   ValueStorage::getInstance().setCurrentValue("elements", elements);
    55   ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
    56   ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
    57   ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
    58   ValueStorage::getInstance().setCurrentValue("output-file", outputname);
    59   ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
    60   ValueStorage::getInstance().setCurrentValue("periodic", periodic);
    61   ActionRegistry::getInstance().getActionByName(AnalysisPairCorrelationAction::NAME)->call(Action::NonInteractive);
    62 };
    63 
    64 
    65 void AnalysisPairCorrelationAction::getParametersfromValueStorage()
    66 {};
    67 
    68 Dialog* AnalysisPairCorrelationAction::fillDialog(Dialog* dialog) {
    69   ASSERT(dialog,"No Dialog given when filling action dialog");
    70 
    71   dialog->queryElements("elements", ValueStorage::getInstance().getDescription("elements"));
    72   dialog->queryDouble("bin-start", ValueStorage::getInstance().getDescription("bin-start"));
    73   dialog->queryDouble("bin-width", ValueStorage::getInstance().getDescription("bin-width"));
    74   dialog->queryDouble("bin-end", ValueStorage::getInstance().getDescription("bin-end"));
    75   dialog->queryString("output-file", ValueStorage::getInstance().getDescription("output-file"));
    76   dialog->queryString("bin-output-file", ValueStorage::getInstance().getDescription("bin-output-file"));
    77   dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic"));
    78 
    79   return dialog;
    80 }
    81 
     44/** =========== define the function ====================== */
    8245Action::state_ptr AnalysisPairCorrelationAction::performCall() {
    8346  int ranges[3] = {1, 1, 1};
    84   double BinEnd = 0.;
    85   double BinStart = 0.;
    86   double BinWidth = 0.;
    87   string outputname;
    88   string binoutputname;
    89   bool periodic;
    9047  ofstream output;
    9148  ofstream binoutput;
    92   std::vector<const element *> elements;
    9349  string type;
    94   Vector Point;
    9550  BinPairMap *binmap = NULL;
    9651
    9752  // obtain information
    98   ValueStorage::getInstance().queryCurrentValue("elements", elements);
    99   ValueStorage::getInstance().queryCurrentValue("bin-start", BinStart);
    100   ValueStorage::getInstance().queryCurrentValue("bin-width", BinWidth);
    101   ValueStorage::getInstance().queryCurrentValue("bin-end", BinEnd);
    102   ValueStorage::getInstance().queryCurrentValue("output-file", outputname);
    103   ValueStorage::getInstance().queryCurrentValue("bin-output-file", binoutputname);
    104   ValueStorage::getInstance().queryCurrentValue("periodic", periodic);
     53  getParametersfromValueStorage();
    10554
    10655  // execute action
    107   output.open(outputname.c_str());
    108   binoutput.open(binoutputname.c_str());
     56  output.open(params.outputname.c_str());
     57  binoutput.open(params.binoutputname.c_str());
    10958  PairCorrelationMap *correlationmap = NULL;
    11059  std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
    111   if (periodic)
    112     correlationmap = PeriodicPairCorrelation(molecules, elements, ranges);
     60  if (params.periodic)
     61    correlationmap = PeriodicPairCorrelation(molecules, params.elements, ranges);
    11362  else
    114     correlationmap = PairCorrelation(molecules, elements);
     63    correlationmap = PairCorrelation(molecules, params.elements);
    11564  OutputPairCorrelation(&output, correlationmap);
    116   binmap = BinData( correlationmap, BinWidth, BinStart, BinEnd );
     65  binmap = BinData( correlationmap, params.BinWidth, params.BinStart, params.BinEnd );
    11766  OutputCorrelation ( &binoutput, binmap );
    11867  delete(binmap);
    … …  
    14291  return NAME;
    14392}
     93/** =========== end of function ====================== */

  • src/Actions/AnalysisAction/PairCorrelationAction.hpp

    r0b2ce9 r9ee38b  
    1515
    1616#include "Actions/Action.hpp"
    17 #include <string>
    18 #include <vector>
    1917
    20 class element;
    21 
    22 void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    23 
    24 class AnalysisPairCorrelationAction : public Action {
    25   friend void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    26 public:
    27   AnalysisPairCorrelationAction();
    28   virtual ~AnalysisPairCorrelationAction();
    29 
    30   bool canUndo();
    31   bool shouldUndo();
    32 
    33   virtual const std::string getName();
    34 protected:
    35   virtual Dialog * fillDialog(Dialog*);
    36 private:
    37    virtual void getParametersfromValueStorage();
    38   virtual Action::state_ptr performCall();
    39   virtual Action::state_ptr performUndo(Action::state_ptr);
    40   virtual Action::state_ptr performRedo(Action::state_ptr);
    41 
    42   static const char NAME[];
    43 };
     18#include "PairCorrelationAction.def"
     19#include "Action_impl_header.hpp"
    4420
    4521#endif /* PAIRCORRELATIONACTION_HPP_ */

  • src/Actions/AnalysisAction/PointCorrelationAction.cpp

    r0b2ce9 r9ee38b  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include "Actions/AnalysisAction/PointCorrelationAction.hpp"
    23 #include "Actions/ActionRegistry.hpp"
    2422#include "analysis_correlation.hpp"
    2523#include "boundary.hpp"
    … …  
    3937using namespace std;
    4038
    41 #include "UIElements/UIFactory.hpp"
    42 #include "UIElements/Dialog.hpp"
    43 #include "Actions/ValueStorage.hpp"
     39#include "Actions/AnalysisAction/PointCorrelationAction.hpp"
    4440
    45 const char AnalysisPointCorrelationAction::NAME[] = "point-correlation";
    4641
    47 AnalysisPointCorrelationAction::AnalysisPointCorrelationAction() :
    48   Action(NAME)
    49 {}
     42// and construct the stuff
     43#include "PointCorrelationAction.def"
     44#include "Action_impl_pre.hpp"
    5045
    51 AnalysisPointCorrelationAction::~AnalysisPointCorrelationAction()
    52 {}
    53 
    54 void AnalysisPointCorrelation(std::vector< element *> &elements, Vector &position, double BinStart, double BinWidth, double BinEnd, string &outputname, string &binoutputname, bool periodic) {
    55   ValueStorage::getInstance().setCurrentValue("elements", elements);
    56   ValueStorage::getInstance().setCurrentValue("position", position);
    57   ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
    58   ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
    59   ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
    60   ValueStorage::getInstance().setCurrentValue("output-file", outputname);
    61   ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
    62   ValueStorage::getInstance().setCurrentValue("periodic", periodic);
    63   ActionRegistry::getInstance().getActionByName(AnalysisPointCorrelationAction::NAME)->call(Action::NonInteractive);
    64 };
    65 
    66 void AnalysisPointCorrelationAction::getParametersfromValueStorage()
    67 {};
    68 
    69 Dialog* AnalysisPointCorrelationAction::fillDialog(Dialog *dialog) {
    70   ASSERT(dialog,"No Dialog given when filling action dialog");
    71 
    72   dialog->queryVector("position", false, ValueStorage::getInstance().getDescription("position"));
    73   dialog->queryElements("elements", ValueStorage::getInstance().getDescription("elements"));
    74   dialog->queryDouble("bin-start", ValueStorage::getInstance().getDescription("bin-start"));
    75   dialog->queryDouble("bin-width", ValueStorage::getInstance().getDescription("bin-width"));
    76   dialog->queryDouble("bin-end", ValueStorage::getInstance().getDescription("bin-end"));
    77   dialog->queryString("output-file", ValueStorage::getInstance().getDescription("output-file"));
    78   dialog->queryString("bin-output-file", ValueStorage::getInstance().getDescription("bin-output-file"));
    79   dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic"));
    80 
    81   return dialog;
    82 }
    83 
     46/** =========== define the function ====================== */
    8447Action::state_ptr AnalysisPointCorrelationAction::performCall() {
    8548  int ranges[3] = {1, 1, 1};
    86   double BinEnd = 0.;
    87   double BinStart = 0.;
    88   double BinWidth = 0.;
    89   string outputname;
    90   string binoutputname;
    91   bool periodic;
    9249  ofstream output;
    9350  ofstream binoutput;
    94   std::vector<const element *> elements;
    9551  string type;
    96   Vector Point;
    9752  BinPairMap *binmap = NULL;
    9853
    9954  // obtain information
    100   ValueStorage::getInstance().queryCurrentValue("position", Point);
    101   ValueStorage::getInstance().queryCurrentValue("elements", elements);
    102   ValueStorage::getInstance().queryCurrentValue("bin-start", BinStart);
    103   ValueStorage::getInstance().queryCurrentValue("bin-width", BinWidth);
    104   ValueStorage::getInstance().queryCurrentValue("bin-end", BinEnd);
    105   ValueStorage::getInstance().queryCurrentValue("output-file", outputname);
    106   ValueStorage::getInstance().queryCurrentValue("bin-output-file", binoutputname);
    107   ValueStorage::getInstance().queryCurrentValue("periodic", periodic);
     55  getParametersfromValueStorage();
    10856
    10957  // execute action
    110   output.open(outputname.c_str());
    111   binoutput.open(binoutputname.c_str());
    112   cout << "Point to correlate to is  " << Point << endl;
     58  output.open(params.outputname.c_str());
     59  binoutput.open(params.binoutputname.c_str());
     60  cout << "Point to correlate to is  " << params.Point << endl;
    11361  CorrelationToPointMap *correlationmap = NULL;
    114   for(std::vector<const element *>::iterator iter = elements.begin(); iter != elements.end(); ++iter)
     62  for(std::vector<const element *>::iterator iter = params.elements.begin(); iter != params.elements.end(); ++iter)
    11563    cout << "element is " << (*iter)->getSymbol() << endl;
    11664  std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
    117   if (periodic)
    118     correlationmap  = PeriodicCorrelationToPoint(molecules, elements, &Point, ranges);
     65  if (params.periodic)
     66    correlationmap  = PeriodicCorrelationToPoint(molecules, params.elements, &params.Point, ranges);
    11967  else
    120     correlationmap = CorrelationToPoint(molecules, elements, &Point);
     68    correlationmap = CorrelationToPoint(molecules, params.elements, &params.Point);
    12169  OutputCorrelationToPoint(&output, correlationmap);
    122   binmap = BinData( correlationmap, BinWidth, BinStart, BinEnd );
     70  binmap = BinData( correlationmap, params.BinWidth, params.BinStart, params.BinEnd );
    12371  OutputCorrelation ( &binoutput, binmap );
    12472  delete(binmap);
    … …  
    14896  return NAME;
    14997}
     98/** =========== end of function ====================== */

  • src/Actions/AnalysisAction/PointCorrelationAction.hpp

    r0b2ce9 r9ee38b  
    1515
    1616#include "Actions/Action.hpp"
    17 #include "LinearAlgebra/Vector.hpp"
    18 #include <vector>
    19 #include <string>
    2017
    21 class element;
    22 
    23 void AnalysisPointCorrelation(std::vector< element *> &elements, Vector &position, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    24 
    25 class AnalysisPointCorrelationAction : public Action {
    26   friend void AnalysisPointCorrelation(std::vector< element *> &elements, Vector &position, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    27 
    28 public:
    29   AnalysisPointCorrelationAction();
    30   virtual ~AnalysisPointCorrelationAction();
    31 
    32   bool canUndo();
    33   bool shouldUndo();
    34 
    35   virtual const std::string getName();
    36 protected:
    37   virtual Dialog * fillDialog(Dialog*);
    38 private:
    39   virtual void getParametersfromValueStorage();
    40   virtual Action::state_ptr performCall();
    41   virtual Action::state_ptr performUndo(Action::state_ptr);
    42   virtual Action::state_ptr performRedo(Action::state_ptr);
    43 
    44   static const char NAME[];
    45 };
     18#include "PointCorrelationAction.def"
     19#include "Action_impl_header.hpp"
    4620
    4721#endif /* POINTCORRELATIONACTION_HPP_ */

  • src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp

    r0b2ce9 r9ee38b  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
    23 #include "Actions/ActionRegistry.hpp"
    2422#include "Helpers/Log.hpp"
    2523#include "Helpers/Verbose.hpp"
    … …  
    3432using namespace std;
    3533
    36 #include "UIElements/UIFactory.hpp"
    37 #include "UIElements/Dialog.hpp"
    38 #include "Actions/ValueStorage.hpp"
     34#include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
    3935
    40 const char AnalysisPrincipalAxisSystemAction::NAME[] = "principal-axis-system";
     36// and construct the stuff
     37#include "PrincipalAxisSystemAction.def"
     38#include "Action_impl_pre.hpp"
    4139
    42 AnalysisPrincipalAxisSystemAction::AnalysisPrincipalAxisSystemAction() :
    43   Action(NAME)
    44 {}
    45 
    46 AnalysisPrincipalAxisSystemAction::~AnalysisPrincipalAxisSystemAction()
    47 {}
    48 
    49 void AnalysisPrincipalAxisSystem() {
    50   ActionRegistry::getInstance().getActionByName(AnalysisPrincipalAxisSystemAction::NAME)->call(Action::NonInteractive);
    51 };
    52 
    53 void AnalysisPrincipalAxisSystemAction::getParametersfromValueStorage()
    54 {};
    55 
    56 Dialog* AnalysisPrincipalAxisSystemAction::fillDialog(Dialog *dialog) {
    57   ASSERT(dialog,"No Dialog given when filling action dialog");
    58 
    59   dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
    60 
    61   return dialog;
    62 }
    63 
     40/** =========== define the function ====================== */
    6441Action::state_ptr AnalysisPrincipalAxisSystemAction::performCall() {
    65   molecule *mol = NULL;
    6642  Matrix InertiaTensor;
    6743
    68   ValueStorage::getInstance().queryCurrentValue(NAME, mol);
    6944  DoLog(0) && (Log() << Verbose(0) << "Evaluating prinicipal axis." << endl);
    7045  for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
    … …  
    11590  return NAME;
    11691}
     92/** =========== end of function ====================== */

  • src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp

    r0b2ce9 r9ee38b  
    1111#include "Actions/Action.hpp"
    1212
    13 void AnalysisPrincipalAxisSystem();
    14 
    15 class AnalysisPrincipalAxisSystemAction : public Action {
    16   friend void AnalysisPrincipalAxisSystem();
    17 
    18 public:
    19   AnalysisPrincipalAxisSystemAction();
    20   virtual ~AnalysisPrincipalAxisSystemAction();
    21 
    22   bool canUndo();
    23   bool shouldUndo();
    24 
    25   virtual const std::string getName();
    26 protected:
    27   virtual Dialog * fillDialog(Dialog *);
    28 private:
    29   virtual void getParametersfromValueStorage();
    30   virtual Action::state_ptr performCall();
    31   virtual Action::state_ptr performUndo(Action::state_ptr);
    32   virtual Action::state_ptr performRedo(Action::state_ptr);
    33 
    34   static const char NAME[];
    35 };
     13#include "PrincipalAxisSystemAction.def"
     14#include "Action_impl_header.hpp"
    3615
    3716#endif /* PRINCIPALAXISSYSTEMACTION_HPP_ */

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

    r0b2ce9 r9ee38b  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include "Actions/AnalysisAction/SurfaceCorrelationAction.hpp"
    23 #include "Actions/ActionRegistry.hpp"
    2422#include "analysis_correlation.hpp"
    2523#include "boundary.hpp"
    … …  
    3937using namespace std;
    4038
    41 #include "UIElements/UIFactory.hpp"
    42 #include "UIElements/Dialog.hpp"
    43 #include "Actions/ValueStorage.hpp"
     39#include "Actions/AnalysisAction/SurfaceCorrelationAction.hpp"
    4440
    45 const char AnalysisSurfaceCorrelationAction::NAME[] = "surface-correlation";
     41// and construct the stuff
     42#include "SurfaceCorrelationAction.def"
     43#include "Action_impl_pre.hpp"
    4644
    47 AnalysisSurfaceCorrelationAction::AnalysisSurfaceCorrelationAction() :
    48   Action(NAME)
    49 {}
    50 
    51 AnalysisSurfaceCorrelationAction::~AnalysisSurfaceCorrelationAction()
    52 {}
    53 
    54 void AnalysisSurfaceCorrelation(std::vector< element *> &elements, molecule *mol, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic) {
    55   ValueStorage::getInstance().setCurrentValue("elements", elements);
    56   ValueStorage::getInstance().setCurrentValue("molecule-by-id", mol);
    57   ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
    58   ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
    59   ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
    60   ValueStorage::getInstance().setCurrentValue("output-file", outputname);
    61   ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
    62   ValueStorage::getInstance().setCurrentValue("periodic", periodic);
    63   ActionRegistry::getInstance().getActionByName(AnalysisSurfaceCorrelationAction::NAME)->call(Action::NonInteractive);
    64 };
    65 
    66 
    67 void AnalysisSurfaceCorrelationAction::getParametersfromValueStorage()
    68 {};
    69 
    70 Dialog* AnalysisSurfaceCorrelationAction::fillDialog(Dialog *dialog) {
    71   ASSERT(dialog,"No Dialog given when filling action dialog");
    72 
    73   dialog->queryMolecule("molecule-by-id", ValueStorage::getInstance().getDescription("molecule-by-id"));
    74   dialog->queryElements("elements", ValueStorage::getInstance().getDescription("elements"));
    75   dialog->queryDouble("bin-start", ValueStorage::getInstance().getDescription("bin-start"));
    76   dialog->queryDouble("bin-width", ValueStorage::getInstance().getDescription("bin-width"));
    77   dialog->queryDouble("bin-end", ValueStorage::getInstance().getDescription("bin-end"));
    78   dialog->queryString("output-file", ValueStorage::getInstance().getDescription("output-file"));
    79   dialog->queryString("bin-output-file", ValueStorage::getInstance().getDescription("bin-output-file"));
    80   dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic"));
    81 
    82   return dialog;
    83 }
    84 
     45/** =========== define the function ====================== */
    8546Action::state_ptr AnalysisSurfaceCorrelationAction::performCall() {
    8647  int ranges[3] = {1, 1, 1};
    87   double BinEnd = 0.;
    88   double BinStart = 0.;
    89   double BinWidth = 0.;
    90   molecule *Boundary = NULL;
    91   string outputname;
    92   string binoutputname;
    93   bool periodic;
    9448  ofstream output;
    9549  ofstream binoutput;
    96   std::vector<const element *> elements;
    9750  string type;
    98   Vector Point;
    9951  BinPairMap *binmap = NULL;
    10052
    10153  // obtain information
    102   ValueStorage::getInstance().queryCurrentValue("molecule-by-id", Boundary);
    103   ValueStorage::getInstance().queryCurrentValue("elements", elements);
    104   ValueStorage::getInstance().queryCurrentValue("bin-start", BinStart);
    105   ValueStorage::getInstance().queryCurrentValue("bin-width", BinWidth);
    106   ValueStorage::getInstance().queryCurrentValue("bin-end", BinEnd);
    107   ValueStorage::getInstance().queryCurrentValue("output-file", outputname);
    108   ValueStorage::getInstance().queryCurrentValue("bin-output-file", binoutputname);
    109   ValueStorage::getInstance().queryCurrentValue("periodic", periodic);
     54  getParametersfromValueStorage();
    11055
    11156  // execute action
    112   output.open(outputname.c_str());
    113   binoutput.open(binoutputname.c_str());
    114   ASSERT(Boundary != NULL, "No molecule specified for SurfaceCorrelation.");
     57  output.open(params.outputname.c_str());
     58  binoutput.open(params.binoutputname.c_str());
     59  ASSERT(params.Boundary != NULL, "No molecule specified for SurfaceCorrelation.");
    11560  const double radius = 4.;
    11661  double LCWidth = 20.;
    117   if (BinEnd > 0) {
    118     if (BinEnd > 2.*radius)
    119       LCWidth = BinEnd;
     62  if (params.BinEnd > 0) {
     63    if (params.BinEnd > 2.*radius)
     64      LCWidth = params.BinEnd;
    12065    else
    12166      LCWidth = 2.*radius;
    … …  
    12873  std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
    12974  std::cout << "There are " << molecules.size() << " selected molecules." << std::endl;
    130   LCList = new LinkedCell(Boundary, LCWidth);
    131   FindNonConvexBorder(Boundary, TesselStruct, LCList, radius, NULL);
     75  LCList = new LinkedCell(params.Boundary, LCWidth);
     76  FindNonConvexBorder(params.Boundary, TesselStruct, LCList, radius, NULL);
    13277  CorrelationToSurfaceMap *surfacemap = NULL;
    133   if (periodic)
    134     surfacemap = PeriodicCorrelationToSurface( molecules, elements, TesselStruct, LCList, ranges);
     78  if (params.periodic)
     79    surfacemap = PeriodicCorrelationToSurface( molecules, params.elements, TesselStruct, LCList, ranges);
    13580  else
    136     surfacemap = CorrelationToSurface( molecules, elements, TesselStruct, LCList);
     81    surfacemap = CorrelationToSurface( molecules, params.elements, TesselStruct, LCList);
    13782  delete LCList;
    13883  OutputCorrelationToSurface(&output, surfacemap);
    … …  
    14489      DoeLog(1) && (eLog()<< Verbose(1) << "Linked Cell width is smaller than the found range of values! Bins can only be correct up to: " << radius << "." << endl);
    14590  }
    146   binmap = BinData( surfacemap, BinWidth, BinStart, BinEnd );
     91  binmap = BinData( surfacemap, params.BinWidth, params.BinStart, params.BinEnd );
    14792  OutputCorrelation ( &binoutput, binmap );
    14893  delete TesselStruct;  // surfacemap contains refs to triangles! delete here, not earlier!
    … …  
    173118  return NAME;
    174119}
     120/** =========== end of function ====================== */

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp

    r0b2ce9 r9ee38b  
    1010
    1111#include "Actions/Action.hpp"
    12 #include <string>
    13 #include <vector>
    1412
    15 class element;
    16 class molecule;
    17 
    18 void AnalysisSurfaceCorrelation(std::vector< element *> &elements, molecule *mol, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    19 
    20 class AnalysisSurfaceCorrelationAction : public Action {
    21   friend void AnalysisSurfaceCorrelation(std::vector< element *> &elements, molecule *mol, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
    22 public:
    23   AnalysisSurfaceCorrelationAction();
    24   virtual ~AnalysisSurfaceCorrelationAction();
    25 
    26   bool canUndo();
    27   bool shouldUndo();
    28 
    29   virtual const std::string getName();
    30 protected:
    31   virtual Dialog * fillDialog(Dialog*);
    32 private:
    33   virtual void getParametersfromValueStorage();
    34   virtual Action::state_ptr performCall();
    35   virtual Action::state_ptr performUndo(Action::state_ptr);
    36   virtual Action::state_ptr performRedo(Action::state_ptr);
    37 
    38   static const char NAME[];
    39 };
     13#include "SurfaceCorrelationAction.def"
     14#include "Action_impl_header.hpp"
    4015
    4116#endif /* SURFACECORRELATIONACTION_HPP_ */

  • src/Actions/Makefile.am

    r0b2ce9 r9ee38b  
    200200lib_LTLIBRARIES = libMolecuilderActions-@MOLECUILDER_API_VERSION@.la
    201201libMolecuilderActions_includedir = $(includedir)/molecuilder-$(MOLECUILDER_API_VERSION)/Actions/
    202 libMolecuilderActions_libs = ../Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la
     202libMolecuilderActions_libs = \
     203        ../Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
     204        ../UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la
    203205nobase_libMolecuilderActions_include_HEADERS = ${ACTIONSHEADER}
    204206

  • src/Makefile.am

    r0b2ce9 r9ee38b  
    324324joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
    325325joiner_LDADD = \
     326        UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la \
    326327        Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
    327328        libMolecuilder-@MOLECUILDER_API_VERSION@.la \
    … …  
    336337analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
    337338analyzer_LDADD = \
     339        UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la \
    338340        Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
    339341        libMolecuilder-@MOLECUILDER_API_VERSION@.la \

  • src/UIElements/Dialog.cpp

    r0b2ce9 r9ee38b  
    2525#include "Helpers/Verbose.hpp"
    2626#include "atom.hpp"
     27#include "Box.hpp"
    2728#include "element.hpp"
    2829#include "molecule.hpp"
    2930#include "LinearAlgebra/Vector.hpp"
    3031#include "LinearAlgebra/Matrix.hpp"
    31 #include "Box.hpp"
    3232
    3333using namespace std;
    … …  
    8484}
    8585
     86template <> void Dialog::query<void *>(const char *token, std::string description)
     87{
     88  queryEmpty(token, description);
     89}
     90
     91template <> void Dialog::query<bool>(const char *token, std::string description)
     92{
     93  queryBoolean(token, description);
     94}
     95
     96template <> void Dialog::query<int>(const char *token, std::string description)
     97{
     98  queryInt(token, description);
     99}
     100
     101template <> void Dialog::query< std::vector<int> >(const char *token, std::string description)
     102{
     103  queryInts(token, description);
     104}
     105
     106template <> void Dialog::query<double>(const char *token, std::string description)
     107{
     108  queryDouble(token, description);
     109}
     110
     111template <> void Dialog::query< std::vector<double> >(const char *token, std::string description)
     112{
     113  queryDoubles(token, description);
     114}
     115
     116template <> void Dialog::query<std::string>(const char *token, std::string description)
     117{
     118  queryString(token, description);
     119}
     120
     121template <> void Dialog::query< std::vector<std::string> >(const char *token, std::string description)
     122{
     123  queryStrings(token, description);
     124}
     125
     126template <> void Dialog::query<atom *>(const char *token, std::string description)
     127{
     128  queryAtom(token, description);
     129}
     130
     131template <> void Dialog::query< std::vector<atom *> >(const char *token, std::string description)
     132{
     133  queryAtoms(token, description);
     134}
     135
     136template <> void Dialog::query<molecule *>(const char *token, std::string description)
     137{
     138  queryMolecule(token, description);
     139}
     140
     141template <> void Dialog::query< std::vector<molecule *> >(const char *token, std::string description)
     142{
     143  queryMolecules(token, description);
     144}
     145
     146template <> void Dialog::query<Vector>(const char *token, std::string description)
     147{
     148  queryVector(token, false, description);
     149}
     150
     151template <> void Dialog::query< std::vector<Vector> >(const char *token, std::string description)
     152{
     153  queryVectors(token, false, description);
     154}
     155
     156template <> void Dialog::query<Box>(const char *token, std::string description)
     157{
     158  queryBox(token, description);
     159}
     160
     161template <> void Dialog::query<const element *>(const char *token, std::string description)
     162{
     163  queryElement(token, description);
     164}
     165
     166template <> void Dialog::query< std::vector<const element *> >(const char *token, std::string description)
     167{
     168  queryElements(token, description);
     169}
     170
    86171/****************** Query types Infrastructure **************************/
    87172

  • src/UIElements/Dialog.hpp

    r0b2ce9 r9ee38b  
    3737  Dialog();
    3838  virtual ~Dialog();
     39
     40  template <class T> void query(const char *, std::string = "");
    3941
    4042  virtual void queryEmpty(const char *, std::string = "")=0;

  • src/UIElements/QT4/QTDialog.cpp

    r0b2ce9 r9ee38b  
    9898/************************** Query Infrastructure ************************/
    9999
    100 void QTDialog::queryEmpty(char const*, string){
     100void QTDialog::queryEmpty(const char*, std::string){
    101101  // TODO
    102102  ASSERT(false, "Not implemented yet");
    103103}
    104104
    105 void QTDialog::queryBoolean(char const*,string){
     105void QTDialog::queryBoolean(const char*,string){
    106106  // TODO
    107107  ASSERT(false, "Not implemented yet");
    108108}
    109109
    110 void QTDialog::queryAtom(char const*, string){
     110void QTDialog::queryAtom(const char*, std::string){
    111111  // TODO
    112112  ASSERT(false, "Not implemented yet");
    113113}
    114114
    115 void QTDialog::queryAtoms(char const*, string){
     115void QTDialog::queryAtoms(const char*, std::string){
    116116  // TODO
    117117  ASSERT(false, "Not implemented yet");
    118118}
    119119
    120 void QTDialog::queryBox(char const*, string){
     120void QTDialog::queryBox(const char*, std::string){
    121121  // TODO
    122122  ASSERT(false, "Not implemented yet");
    … …  
    172172}
    173173
    174 void QTDialog::queryElement(const char* title, string){
     174void QTDialog::queryElement(const char* title, std::string){
    175175  registerQuery(new ElementQTQuery(title,inputLayout,this));
    176176}
    177177
    178 void QTDialog::queryElements(const char* title, string){
     178void QTDialog::queryElements(const char* title, std::string){
    179179  // TODO
    180180  ASSERT(false, "Not implemented yet");
    … …  
    353353}
    354354
    355 // All values besides the empty string are valid
     355// All values besides the empty std::string are valid
    356356bool QTDialog::StringQTQuery::handle()
    357357{
    … …  
    400400}
    401401
    402 // All values besides the empty string are valid
     402// All values besides the empty std::string are valid
    403403bool QTDialog::StringsQTQuery::handle()
    404404{
    405405  // dissect by ","
    406   string::iterator olditer = temp.begin();
     406  std::string::iterator olditer = temp.begin();
    407407  for(string::iterator iter = temp.begin(); iter != temp.end(); ++iter) {
    408408    if (*iter == ' ') {
    … …  
    429429      iter != molecules.end();
    430430      ++iter) {
    431     stringstream sstr;
     431    std::stringstream sstr;
    432432    sstr << (*iter)->IndexNr << "\t" << (*iter)->getName();
    433433    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter)->IndexNr));
    … …  
    465465      iter != molecules.end();
    466466      ++iter) {
    467     stringstream sstr;
     467    std::stringstream sstr;
    468468    sstr << (*iter)->IndexNr << "\t" << (*iter)->getName();
    469469    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter)->IndexNr));
    … …  
    565565      ++iter)
    566566  {
    567     stringstream sstr;
     567    std::stringstream sstr;
    568568    sstr << (*iter).first << "\t" << (*iter).second->getName();
    569569    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter).first));
    … …  
    600600      ++iter)
    601601  {
    602     stringstream sstr;
     602    std::stringstream sstr;
    603603    sstr << (*iter).first << "\t" << (*iter).second->getName();
    604604    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter).first));

  • src/UIElements/TextUI/TextDialog.cpp

    r0b2ce9 r9ee38b  
    5757}
    5858
    59 
    60 void TextDialog::queryEmpty(const char* title, string description){
     59void TextDialog::queryEmpty(const char* title, std::string description){
    6160  registerQuery(new EmptyTextQuery(title,description));
    6261}
    6362
    64 void TextDialog::queryBoolean(const char* title, string description){
     63void TextDialog::queryBoolean(const char* title, std::string description){
    6564  registerQuery(new BooleanTextQuery(title,description));
    6665}
    6766
    68 void TextDialog::queryInt(const char* title, string description){
     67void TextDialog::queryInt(const char* title, std::string description){
    6968  registerQuery(new IntTextQuery(title,description));
    7069}
    7170
    72 void TextDialog::queryInts(const char* title, string description){
     71void TextDialog::queryInts(const char* title, std::string description){
    7372  registerQuery(new IntsTextQuery(title,description));
    7473}
    7574
    76 void TextDialog::queryDouble(const char* title, string description){
     75void TextDialog::queryDouble(const char* title, std::string description){
    7776  registerQuery(new DoubleTextQuery(title,description));
    7877}
    7978
    80 void TextDialog::queryDoubles(const char* title, string description){
     79void TextDialog::queryDoubles(const char* title, std::string description){
    8180  registerQuery(new DoublesTextQuery(title,description));
    8281}
    8382
    84 void TextDialog::queryString(const char* title, string description){
     83void TextDialog::queryString(const char* title, std::string description){
    8584  registerQuery(new StringTextQuery(title,description));
    8685}
    8786
    88 void TextDialog::queryStrings(const char* title, string description){
     87void TextDialog::queryStrings(const char* title, std::string description){
    8988  registerQuery(new StringsTextQuery(title,description));
    9089}
    9190
    92 void TextDialog::queryAtom(const char* title, string description) {
     91void TextDialog::queryAtom(const char* title, std::string description) {
    9392  registerQuery(new AtomTextQuery(title,description));
    9493}
    9594
    96 void TextDialog::queryAtoms(const char* title, string description) {
     95void TextDialog::queryAtoms(const char* title, std::string description) {
    9796  registerQuery(new AtomsTextQuery(title,description));
    9897}
    9998
    100 void TextDialog::queryMolecule(const char* title, string description) {
     99void TextDialog::queryMolecule(const char* title, std::string description) {
    101100  registerQuery(new MoleculeTextQuery(title,description));
    102101}
    103102
    104 void TextDialog::queryMolecules(const char* title, string description) {
     103void TextDialog::queryMolecules(const char* title, std::string description) {
    105104  registerQuery(new MoleculesTextQuery(title,description));
    106105}
    107106
    108 void TextDialog::queryVector(const char* title, bool check, string description) {
     107void TextDialog::queryVector(const char* title, bool check, std::string description) {
    109108  registerQuery(new VectorTextQuery(title,check,description));
    110109}
    111110
    112 void TextDialog::queryVectors(const char* title, bool check, string description) {
     111void TextDialog::queryVectors(const char* title, bool check, std::string description) {
    113112  registerQuery(new VectorsTextQuery(title,check,description));
    114113}
    115114
    116 void TextDialog::queryBox(const char* title, string description) {
     115void TextDialog::queryBox(const char* title, std::string description) {
    117116  registerQuery(new BoxTextQuery(title,description));
    118117}
    119118
    120 void TextDialog::queryElement(const char* title, string description){
     119void TextDialog::queryElement(const char* title, std::string description){
    121120  registerQuery(new ElementTextQuery(title,description));
    122121}
    123122
    124 void TextDialog::queryElements(const char* title, string description){
     123void TextDialog::queryElements(const char* title, std::string description){
    125124  registerQuery(new ElementsTextQuery(title,description));
    126125}
    … …  
    174173  getline(cin,line);
    175174  // dissect by " "
    176   string::iterator olditer = line.begin();
     175  std::string::iterator olditer = line.begin();
    177176  for(string::iterator iter = line.begin(); iter != line.end(); ++iter) {
    178177    if (*iter == ' ') {
    … …  
    243242  getline(cin,temp);
    244243  // dissect by " "
    245   string::iterator olditer = temp.begin();
     244  std::string::iterator olditer = temp.begin();
    246245  for(string::iterator iter = temp.begin(); iter != temp.end(); ++iter) {
    247246    if (*iter == ' ') {
    … …  
    291290  getline(cin,line);
    292291  // dissect by " "
    293   string::iterator olditer = line.begin();
     292  std::string::iterator olditer = line.begin();
    294293  for(string::iterator iter = line.begin(); iter != line.end(); ++iter) {
    295294    if (*iter == ' ') {
    … …  
    354353  getline(cin,line);
    355354  // dissect by " "
    356   string::iterator olditer = line.begin();
     355  std::string::iterator olditer = line.begin();
    357356  for(string::iterator iter = line.begin(); iter != line.end(); ++iter) {
    358357    if (*iter == ' ') {
    … …  
    426425  getline(cin,line);
    427426  // dissect by " "
    428   string::iterator olditer = line.begin();
     427  std::string::iterator olditer = line.begin();
    429428  for(string::iterator iter = line.begin(); iter != line.end(); ++iter) {
    430429    if (*iter == ' ') {
    … …  
    473472  double coord = 0.;
    474473  int counter = 0;
    475   string::iterator olditer = line.begin();
     474  std::string::iterator olditer = line.begin();
    476475  for(string::iterator iter = line.begin(); (iter != line.end()) && (counter != 3); ++iter) {
    477476    if (*iter == ',') {
    … …  
    511510  // dissect by ","
    512511  double coord = 0.;
    513   string::iterator olditerspace = line.begin();
    514   string::iterator olditercomma = line.begin();
     512  std::string::iterator olditerspace = line.begin();
     513  std::string::iterator olditercomma = line.begin();
    515514  int counter = 0;
    516515  for(string::iterator vectoriter = line.begin(); vectoriter != line.end(); ++vectoriter) {
    … …  
    608607    // Try to read as shorthand
    609608    // the last buffer content was not removed, so we read the
    610     // same thing again, this time as a string
    611     string shorthand;
     609    // same thing again, this time as a std::string
     610    std::string shorthand;
    612611    cin >> shorthand;
    613612    if(!cin.fail()){
    … …  
    649648  getline(cin,line);
    650649  // dissect by " "
    651   string::iterator olditer = line.begin();
     650  std::string::iterator olditer = line.begin();
    652651  for(string::iterator iter = line.begin(); iter != line.end(); ++iter) {
    653652    if (*iter == ' ') {

  • src/unittests/Makefile.am

    r0b2ce9 r9ee38b  
    5757        ${BOOST_THREAD_LIB}
    5858ALLLIBS = \
     59        ../UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la \
    5960        ../Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
    6061        ${PARSERLIBS} \
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