Changeset 09af1b

Timestamp:

Apr 10, 2009, 11:28:02 PM (16 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:

178f92

Parents:

63f06e

Message:

removed lots of warnings due to unused variables

This arose due to the code-writes for multiple molecules.

Location:

src

Files:

• analyzer.cpp (modified) (1 diff)
• boundary.cpp (modified) (10 diffs)
• builder.cpp (modified) (6 diffs)
• ellipsoid.cpp (modified) (2 diffs)

src/analyzer.cpp

@@ -50 +50 @@
         char *dir = NULL;
         bool Hcorrected = true;
-        double norm;
         int counter;
 

src/boundary.cpp

@@ -1521 +1521 @@
 
         cout << Verbose(1) << "Adding triangle to its lines" << endl;
-        int i = 0;
         TrianglesOnBoundary.insert(TrianglePair(TrianglesOnBoundaryCount, BTS));
         TrianglesOnBoundaryCount++;
@@ -1729 +1728 @@
         Vector Mittelpunkt;
 
-        double CurrentEpsilon = 0.1;
-        double alpha, beta, gamma, SideA, SideB, SideC, sign, Umkreisradius, Restradius, Distance;
+        double alpha, beta, gamma, SideA, SideB, SideC, sign, Umkreisradius;
         double BallAngle, AlternativeSign;
         atom *Walker; // variable atom point
@@ -2152 +2150 @@
         LineMap::iterator FindLine;
         PointMap::iterator FindPoint;
-        bool Present[3];
 
         *out << Verbose(2) << "Begin of CheckPresenceOfTriangle" << endl;
@@ -2214 +2211 @@
 void Find_third_point_for_Tesselation(Vector NormalVector, Vector SearchDirection, Vector OldSphereCenter, class BoundaryLineSet *BaseLine, atom *ThirdNode, atom*& OptCandidate, Vector *OptCandidateCenter, double *ShortestAngle, const double RADIUS, LinkedCell *LC)
 {
-        atom *Walker = NULL;
         Vector CircleCenter;    // center of the circle, i.e. of the band of sphere's centers
         Vector CirclePlaneNormal; // normal vector defining the plane this circle lives in
@@ -2225 +2221 @@
         double radius;
         double alpha, Otheralpha; // angles (i.e. parameter for the circle).
-        double Nullalpha; // angle between OldSphereCenter and NormalVector of base triangle
         int N[NDIM], Nlower[NDIM], Nupper[NDIM];
         atom *Candidate = NULL;
@@ -2371 +2366 @@
 {
         cout << Verbose(2) << "Begin of Find_second_point_for_Tesselation" << endl;
-        int i;
         Vector AngleCheck;
-        atom* Walker;
         double norm = -1., angle;
         LinkedAtoms *List = NULL;
@@ -2441 +2434 @@
         int i = 0;
         LinkedAtoms *List = NULL;
-        atom* Walker;
         atom* FirstPoint;
         atom* SecondPoint;
@@ -2566 +2558 @@
         ofstream *tempstream = NULL;
         char NumberName[255];
-        double tmp;
 
         atom* Opt_Candidate = NULL;
@@ -2676 +2667 @@
                         string NameofTempFile(tempbasename);
                         NameofTempFile.append(NumberName);
-                        for(size_t npos = NameofTempFile.find_first_of(' '); npos != -1; npos = NameofTempFile.find(' ', npos))
+                        for(size_t npos = NameofTempFile.find_first_of(' '); npos != string::npos; npos = NameofTempFile.find(' ', npos))
                                 NameofTempFile.erase(npos, 1);
                         NameofTempFile.append(TecplotSuffix);
@@ -2690 +2681 @@
                         string NameofTempFile(tempbasename);
                         NameofTempFile.append(NumberName);
-                        for(size_t npos = NameofTempFile.find_first_of(' '); npos != -1; npos = NameofTempFile.find(' ', npos))
+                        for(size_t npos = NameofTempFile.find_first_of(' '); npos != string::npos; npos = NameofTempFile.find(' ', npos))
                                 NameofTempFile.erase(npos, 1);
                         NameofTempFile.append(Raster3DSuffix);

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
@@ -749 +747 @@
 static void ManipulateMolecules(periodentafel *periode, MoleculeListClass *molecules, config *configuration)
 {
-  atom *first, *second, *third, *fourth;
-  Vector **atoms;
+  atom *first;
   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;
@@ -912 +907 @@
 {
   char choice;  // menu choice char
-  bool valid;
   Vector center;
   int nr, count;
   molecule *mol = NULL;
-  char *molname = NULL;
-  int length;
 
   cout << Verbose(0) << "==========EDIT MOLECULES=====================" << endl;
@@ -1030 +1022 @@
 {
   char choice;  // menu choice char
-  bool valid;
 
   cout << Verbose(0) << "===========MERGE MOLECULES=====================" << endl;
@@ -1891 +1882 @@
         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;
@@ -1901 +1889 @@
         char ConfigFileName[MAXSTRINGSIZE];
         char *ElementsFileName = NULL;
-        int Z;
-        int j, axis, count, faktor;
+        int j;
 
         // =========================== PARSE COMMAND LINE OPTIONS ====================================

src/ellipsoid.cpp

@@ -217 +217 @@
         int PointsLeft = 0;
         int PointsPicked = 0;
-        double value, threshold;
         int Nlower[NDIM], Nupper[NDIM];
         set<int> PickedAtomNrs;  // ordered list of picked atoms
@@ -274 +273 @@
                                 PickedAtomNrs.insert(index);
                         }
-                } while (PickedAtomNrs.size() < PointsToPick);
+                } while (PickedAtomNrs.size() < (size_t) PointsToPick);
 
                 index = 0; // now go through all and pick those whose from PickedAtomsNr