Changeset da3024 for src/builder.cpp

Timestamp:

Jun 19, 2010, 3:58:32 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:

0d5dce, 55240c4, 61b5f0, 7a176b, ce4487

Parents:

bf0edf

Message:

Fixed various compiler warnings.

• Process::Process() - Action and Observer in wrong order.
• WorldRepeatBoxAction::performCall() - parenthesis missing.
• builder.cpp: SaveConfig() removed by extending #endif, function is not used.
• ParseCommandLineOptions() - unused variables removed.
• main() - unused variables removed.

File:

• src/builder.cpp (modified) (5 diffs)

src/builder.cpp

@@ -1358 +1358 @@
 };
 
-#endif
 
 /** Tries given filename or standard on saving the config file.
@@ -1484 +1483 @@
 };
 
+#endif
+
 /** Parses the command line options.
  * Note that this function is from now on transitional. All commands that are not passed
@@ -1501 +1502 @@
 {
   Vector x,y,z,n;  // coordinates for absolute point in cell volume
-  double *factor; // unit factor if desired
   ifstream test;
   ofstream output;
   string line;
-  atom *first;
   bool SaveFlag = false;
   int ExitFlag = 0;
@@ -1511 +1510 @@
   double volume = 0.;
   enum ConfigStatus configPresent = absent;
-  clock_t start,end;
-  double MaxDistance = -1;
   int argptr;
   molecule *mol = NULL;
   string BondGraphFileName("\n");
-  bool DatabasePathGiven = false;
 
   if (argc > 1) { // config file specified as option
@@ -2201 +2197 @@
 int main(int argc, char **argv)
 {
-    config *configuration = World::getInstance().getConfig();
     // while we are non interactive, we want to abort from asserts
     //ASSERT_DO(Assert::Abort);
-    molecule *mol = NULL;
     Vector x, y, z, n;
     ifstream test;