Changeset 4777e9 for src/builder.cpp

Timestamp:

Jul 9, 2009, 10:31:05 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:

70c333f

Parents:

542ab3

Message:

Removed unneeded variables

File:

• src/builder.cpp (modified) (7 diffs)

src/builder.cpp

@@ -628 +628 @@
 static void ManipulateAtoms(periodentafel *periode, MoleculeListClass *molecules, config *configuration)
 {
-  atom *first, *second, *third, *fourth;
-  Vector **atoms;
+  atom *first, *second;
   molecule *mol = NULL;
   Vector x,y,z,n; // coordinates for absolute point in cell volume
   double *factor; // unit factor if desired
-  double a,b,c;
   double bond, min_bond;
   char choice;  // menu choice char
@@ -743 +741 @@
 static void ManipulateMolecules(periodentafel *periode, MoleculeListClass *molecules, config *configuration)
 {
-  atom *first, *second, *third, *fourth;
-  Vector **atoms;
+  atom *first = NULL;
   Vector x,y,z,n; // coordinates for absolute point in cell volume
-  double a,b,c;
   int j, axis, count, faktor;
   char choice;  // menu choice char
-  bool valid;
   molecule *mol = NULL;
   element **Elements;
@@ -900 +895 @@
 {
   char choice;  // menu choice char
-  bool valid;
   Vector Center;
   int nr, count;
   molecule *mol = NULL;
-  char *molname = NULL;
-  int length;
   char filename[MAXSTRINGSIZE];
 
@@ -1008 +1000 @@
 {
   char choice;  // menu choice char
-  bool valid;
 
   cout << Verbose(0) << "===========MERGE MOLECULES=====================" << endl;
@@ -1485 +1476 @@
                                                         } else {
                                                                 class Tesselation T;
-                                                                int N = 15;
-                                                                int number = 100;
                                                                 string filename(argv[argptr+1]);
                                                                 filename.append(".csv");
@@ -1799 +1788 @@
         molecule *mol = NULL;
         config configuration;
-        double tmp1;
-        atom *first, *second;
         char choice;    // menu choice char
         Vector x,y,z,n; // coordinates for absolute point in cell volume
-        bool valid; // flag if input was valid or not
         ifstream test;
         ofstream output;
@@ -1809 +1795 @@
         char *ConfigFileName = NULL;
         char *ElementsFileName = NULL;
-        int Z;
-        int j, axis, count, faktor;
+        int j, count;
 
         // =========================== PARSE COMMAND LINE OPTIONS ====================================