Changeset e6317b for src/UIElements/CommandLineUI/CommandLineDialog.cpp

Timestamp:

Jun 16, 2010, 12:24:21 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, 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:

492279

Parents:

f8e486 (diff), 980dd6 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Broken: Merge commit 'Gitosis/stable' into stable

Conflicts:

molecuilder/src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp
molecuilder/src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp
molecuilder/src/Makefile.am

File:

• src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) (12 diffs)

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -8 +8 @@
 #include "Helpers/MemDebug.hpp"
 
-#include <cassert>
 #include <iostream>
+#include <vector>
 
 #include <Descriptors/AtomDescriptor.hpp>
@@ -16 +16 @@
 #include <Descriptors/MoleculeIdDescriptor.hpp>
 #include "CommandLineUI/CommandLineDialog.hpp"
+
+#include "Actions/Values.hpp"
 
 #include "element.hpp"
@@ -79 +81 @@
 }
 
-void CommandLineDialog::queryElement(const char* title, const element **target, string _description){
+void CommandLineDialog::queryElement(const char* title, std::vector<element *> *target, string _description){
   registerQuery(new ElementCommandLineQuery(title,target, _description));
 }
@@ -106 +108 @@
     tmp = CommandLineParser::getInstance().vm[getTitle()].as<int>();
     return true;
-  } else
-    return false;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing integer for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -117 +121 @@
 
 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 {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing boolean for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -149 +140 @@
     tmp = CommandLineParser::getInstance().vm[getTitle()].as<string>();
     return true;
-  } else
-    return false;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing string for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -163 +156 @@
     tmp = CommandLineParser::getInstance().vm[getTitle()].as<double>();
     return true;
-  } else
-    return false;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing double for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -179 +174 @@
     tmp = World::getInstance().getAtom(AtomById(IdxOfAtom));
     return true;
-  } else
-    return false;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing atom for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -199 +196 @@
       tmp = NULL;
     return true;
-  } else
-    return false;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing molecule for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -211 +210 @@
 
 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];
-    return true;
-  } else
-    return false;
+  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 {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing vector for " << getTitle() << "." << endl);
+    return false;
+  }
 }
 
@@ -231 +232 @@
 
 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];
-    }
-    return true;
-  } else
-    return false;
-}
-
-CommandLineDialog::ElementCommandLineQuery::ElementCommandLineQuery(string title, const element **target, string _description) :
+  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 {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing symmetric box matrix for " << getTitle() << "." << endl);
+    return false;
+  }
+}
+
+CommandLineDialog::ElementCommandLineQuery::ElementCommandLineQuery(string title, std::vector<element *> *target, string _description) :
     Dialog::ElementQuery(title,target, _description)
 {}
@@ -252 +257 @@
 bool CommandLineDialog::ElementCommandLineQuery::handle() {
   // TODO: vector of ints and removing first is not correctly implemented yet. How to remove from a vector?
-  int Z;
+  periodentafel *periode = World::getInstance().getPeriode();
+  element *elemental = NULL;
   if (CommandLineParser::getInstance().vm.count(getTitle())) {
     vector<int> AllElements = CommandLineParser::getInstance().vm[getTitle()].as< vector<int> >();
-    vector<int>::iterator ElementRunner = AllElements.begin();
-    Z = *ElementRunner;
-    // TODO: So far, this does not really erase the element in the parsed list.
-    AllElements.erase(ElementRunner);
-    tmp = World::getInstance().getPeriode()->FindElement(Z);
-    return true;
-  } else
-    return false;
-}
+    for (vector<int>::iterator ZRunner = AllElements.begin(); ZRunner != AllElements.end(); ++ZRunner) {
+      elemental = periode->FindElement(*ZRunner);
+      ASSERT(elemental != NULL, "Invalid element specified in ElementCommandLineQuery");
+      elements.push_back(elemental);
+    }
+    return true;
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "CommandLineUI parsing error: Missing element for " << getTitle() << "." << endl);
+    return false;
+  }
+}