Changeset d90762 for src/UIElements

Timestamp:

May 8, 2010, 10:57:04 PM (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:

bcd072

Parents:

4380af

git-author:

Frederik Heber <heber@…> (05/08/10 22:52:19)

git-committer:

Frederik Heber <heber@…> (05/08/10 22:57:04)

Message:

Rewrote all CommandLineDialog's Query... to use the prorgam_options::vm.

• we scan for the given title of the Query in program_options::vm and return the value.
• in case of molecule we use MoleculeIdDescriptor.
• in case of vector, new vector is created and components initialized from vector<double>
• in case of element we use Periodetafel::FindElement()

Signed-off-by: Frederik Heber <heber@…>

File:

• src/UIElements/CommandLineDialog.cpp (modified) (7 diffs)

src/UIElements/CommandLineDialog.cpp

@@ -7 +7 @@
 
 
+#include <cassert>
 #include <iostream>
 
+#include <Descriptors/MoleculeDescriptor.hpp>
+#include <Descriptors/MoleculeIdDescriptor.hpp>
 #include "UIElements/CommandLineDialog.hpp"
 
-#include "World.hpp"
 #include "periodentafel.hpp"
 #include "atom.hpp"
+#include "CommandLineParser.hpp"
+#include "defs.hpp"
 #include "molecule.hpp"
 #include "log.hpp"
 #include "verbose.hpp"
+#include "World.hpp"
 
 using namespace std;
@@ -63 +68 @@
 
 bool CommandLineDialog::IntTextQuery::handle() {
-  bool badInput = false;
-  do{
-    badInput = false;
-    Log() << Verbose(0) << getTitle();
-    cin >> tmp;
-    if(cin.fail()){
-      badInput=true;
-      cin.clear();
-      cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-      Log() << Verbose(0) << "Input was not a number!" << endl;
-    }
-  } while(badInput);
-  // clear the input buffer of anything still in the line
-  cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-  return true;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    tmp = CommandLineParser::getInstance().vm[getTitle()].as<int>();
+    return true;
+  } else
+    return false;
 }
 
@@ -87 +82 @@
 
 bool CommandLineDialog::StringTextQuery::handle() {
-  Log() << Verbose(0) << getTitle();
-  getline(cin,tmp);
-  return true;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    tmp = CommandLineParser::getInstance().vm[getTitle()].as<std::string>();
+    return true;
+  } else
+    return false;
 }
 
@@ -99 +96 @@
 
 bool CommandLineDialog::DoubleTextQuery::handle() {
-  bool badInput = false;
-  do{
-    badInput = false;
-    Log() << Verbose(0) << getTitle();
-    cin >> tmp;
-    if(cin.fail()){
-      badInput = true;
-      cin.clear();
-      cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-      Log() << Verbose(0) << "Input was not a number!" << endl;
-    }
-  }while(badInput);
-  cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-  return true;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    tmp = CommandLineParser::getInstance().vm[getTitle()].as<double>();
+    return true;
+  } else
+    return false;
 }
 
@@ -122 +110 @@
 
 bool CommandLineDialog::MoleculeTextQuery::handle() {
-  int idxOfMol=0;
-  bool badInput = false;
-  do{
-    badInput = false;
-    Log() << Verbose(0) << getTitle();
-    cin >> idxOfMol;
-    if(cin.fail()){
-      badInput = true;
-      cin.clear();
-      cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-      Log() << Verbose(0) << "Input was not a number!" << endl;
-      continue;
-    }
-
-    tmp = molecules->ReturnIndex(idxOfMol);
-    if(!tmp && idxOfMol!=-1){
-      Log() << Verbose(0) << "Invalid Molecule Index" << endl;
-      badInput = true;
-    }
-
-  } while(badInput);
-  cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-  return (idxOfMol!=-1);
+  int IdxOfMol = -1;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    IdxOfMol = CommandLineParser::getInstance().vm[getTitle()].as<int>();
+    tmp = World::getInstance().getMolecule(MoleculeById(IdxOfMol));
+    return true;
+  } else
+    return false;
 }
 
@@ -155 +127 @@
 
 bool CommandLineDialog::VectorTextQuery::handle() {
-  Log() << Verbose(0) << getTitle();
-
-  char coords[3] = {'x','y','z'};
-  int j = -1;
-  for (int i=0;i<3;i++) {
-    j += i+1;
-    do {
-      Log() << Verbose(0) << coords[i] << "[0.." << cellSize[j] << "]: ";
-      cin >> (*tmp)[i];
-    } while ((((*tmp)[i] < 0) || ((*tmp)[i] >= cellSize[j])) && (check));
-  }
-  return true;
+  vector<double> temp;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    temp = CommandLineParser::getInstance().vm[getTitle()].as<vector<double> >();
+    assert((temp.size() == 3) && "Vector from command line does not have three components.");
+    tmp = new Vector;
+    for (int i=0;i<NDIM;i++)
+      tmp->at(i) = temp[i];
+    return true;
+  } else
+    return false;
 }
 
@@ -178 +148 @@
 
 bool CommandLineDialog::ElementTextQuery::handle() {
-  bool badInput=false;
-  bool aborted = false;
-  do{
-    badInput = false;
-    Log() << Verbose(0) << getTitle();
-
-    // try to read as Atomic number
-    int Z;
-    cin >> Z;
-    if(!cin.fail()){
-      if(Z==-1){
-        aborted = true;
-      }
-      else{
-        tmp = World::getInstance().getPeriode()->FindElement(Z);
-        if(!tmp){
-          Log() << Verbose(0) << "No element with this atomic number!" << endl;
-          badInput = true;
-        }
-      }
-      continue;
-    }
-    else{
-      cin.clear();
-    }
-
-    // Try to read as shorthand
-    // the last buffer content was not removed, so we read the
-    // same thing again, this time as a string
-    string shorthand;
-    cin >> shorthand;
-    if(!cin.fail()){
-      if(shorthand.empty()){
-        aborted = true;
-      }
-      else{
-        tmp = World::getInstance().getPeriode()->FindElement(shorthand.c_str());
-        if(!tmp){
-          Log() << Verbose(0) << "No element with this shorthand!" << endl;
-          badInput = true;
-        }
-      }
-    }
-    else{
-      Log() << Verbose(0) << "Could not read input. Try Again." << endl;
-      cin.clear();
-      cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-      badInput = true;
-    }
-
-  }while(badInput);
-  cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-  return !aborted;
+  int Z = -1;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    Z = CommandLineParser::getInstance().vm[getTitle()].as<int>();
+    tmp = World::getInstance().getPeriode()->FindElement(Z);
+    return true;
+  } else
+    return false;
 }