Changeset 0286bc for src/UIElements/CommandLineUI/CommandLineDialog.cpp

Timestamp:

Jun 7, 2010, 11:53:44 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:

19c0e3

Parents:

3610bb

git-author:

Frederik Heber <heber@…> (06/07/10 23:48:31)

git-committer:

Frederik Heber <heber@…> (06/07/10 23:53:44)

Message:

BUGFIX: ListOfDoubles changed to Box and Vector.

• ListOfDoubles is now Box/Vector at appropriate places thanks to new validators and types
• new types BoxValue and VectorValue, being structures for symmetric 3x3 matrices and 3-dim vectors
• new file Values.hpp, containing the definitions added to Makefile.am
• new overloaded validate functions for boost::program_options
• CommandLineUI
  • adapted VectorCommandLineQuery and BoxCommandLineQuery to expect VectorValue and BoxValue
  • BUGFIX: CommandLineDialog::BooleanCommandLineQuery::handle() had copy&paste from Menu instead of program_options
• MapOfActions
  • center-in-box and change-box expect Box not ListOfDoubles
  • distances and lengths expect Vector not ListOfDoubles
  • new DoRotate option
  • inserted fill-molecule action

File:

• src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) (4 diffs)

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -15 +15 @@
 #include <Descriptors/MoleculeIdDescriptor.hpp>
 #include "CommandLineUI/CommandLineDialog.hpp"
+
+#include "Actions/Values.hpp"
 
 #include "element.hpp"
@@ -116 +118 @@
 
 bool CommandLineDialog::BooleanCommandLineQuery::handle() {
-  bool badInput = false;
-  char input = ' ';
-  do{
-    badInput = false;
-    Log() << Verbose(0) << getTitle();
-    cin >> input;
-    if ((input == 'y' ) || (input == 'Y')) {
-      tmp = true;
-    } else if ((input == 'n' ) || (input == 'N')) {
-      tmp = false;
-    } else {
-      badInput=true;
-      cin.clear();
-      cin.ignore(std::numeric_limits<streamsize>::max(),'\n');
-      Log() << Verbose(0) << "Input was not of [yYnN]!" << 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<bool>();
+    return true;
+  } else
+    return false;
 }
 
@@ -210 +197 @@
 
 bool CommandLineDialog::VectorCommandLineQuery::handle() {
-  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.");
-    for (int i=0;i<NDIM;i++)
-      tmp->at(i) = temp[i];
+  VectorValue temp;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    temp = CommandLineParser::getInstance().vm[getTitle()].as< VectorValue >();
+    tmp->at(0) = temp.x;
+    tmp->at(1) = temp.y;
+    tmp->at(2) = temp.z;
     return true;
   } else
@@ -230 +217 @@
 
 bool CommandLineDialog::BoxCommandLineQuery::handle() {
-  vector<double> temp;
-  if (CommandLineParser::getInstance().vm.count(getTitle())) {
-    temp = CommandLineParser::getInstance().vm[getTitle()].as<vector<double> >();
-    assert((temp.size() == 6) && "Symmetric box matrix from command line does not have six components.");
-    for (int i=0;i<6;i++) {
-      tmp[i] = temp[i];
-    }
+  BoxValue temp;
+  if (CommandLineParser::getInstance().vm.count(getTitle())) {
+    temp = CommandLineParser::getInstance().vm[getTitle()].as< BoxValue >();
+    tmp[0] = temp.xx;
+    tmp[1] = temp.xy;
+    tmp[2] = temp.xz;
+    tmp[3] = temp.yy;
+    tmp[4] = temp.yz;
+    tmp[5] = temp.zz;
     return true;
   } else