Changeset 0a4f7f for src/tesselationhelpers.cpp

Timestamp:

Apr 7, 2010, 3:45:38 PM (16 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, Candidate_v1.7.0, 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:

72e7fa

Parents:

f9352d

Message:

Made data internal data-structure of vector class private

• Replaced occurences of access to internals with operator
• moved Vector-class into LinAlg-Module
• Reworked Vector to allow clean modularization
• Added Plane class to describe arbitrary planes in 3d space

File:

• src/tesselationhelpers.cpp (modified) (13 diffs)

src/tesselationhelpers.cpp

@@ -14 +14 @@
 #include "tesselationhelpers.hpp"
 #include "vector.hpp"
+#include "vector_ops.hpp"
 #include "verbose.hpp"
 
@@ -53 +54 @@
 
   for(int i=0;i<3;i++) {
-    gsl_matrix_set(A, i, 0, a.x[i]);
-    gsl_matrix_set(A, i, 1, b.x[i]);
-    gsl_matrix_set(A, i, 2, c.x[i]);
+    gsl_matrix_set(A, i, 0, a[i]);
+    gsl_matrix_set(A, i, 1, b[i]);
+    gsl_matrix_set(A, i, 2, c[i]);
   }
   m11 = DetGet(A, 1);
 
   for(int i=0;i<3;i++) {
-    gsl_matrix_set(A, i, 0, a.x[i]*a.x[i] + b.x[i]*b.x[i] + c.x[i]*c.x[i]);
-    gsl_matrix_set(A, i, 1, b.x[i]);
-    gsl_matrix_set(A, i, 2, c.x[i]);
+    gsl_matrix_set(A, i, 0, a[i]*a[i] + b[i]*b[i] + c[i]*c[i]);
+    gsl_matrix_set(A, i, 1, b[i]);
+    gsl_matrix_set(A, i, 2, c[i]);
   }
   m12 = DetGet(A, 1);
 
   for(int i=0;i<3;i++) {
-    gsl_matrix_set(A, i, 0, a.x[i]*a.x[i] + b.x[i]*b.x[i] + c.x[i]*c.x[i]);
-    gsl_matrix_set(A, i, 1, a.x[i]);
-    gsl_matrix_set(A, i, 2, c.x[i]);
+    gsl_matrix_set(A, i, 0, a[i]*a[i] + b[i]*b[i] + c[i]*c[i]);
+    gsl_matrix_set(A, i, 1, a[i]);
+    gsl_matrix_set(A, i, 2, c[i]);
   }
   m13 = DetGet(A, 1);
 
   for(int i=0;i<3;i++) {
-    gsl_matrix_set(A, i, 0, a.x[i]*a.x[i] + b.x[i]*b.x[i] + c.x[i]*c.x[i]);
-    gsl_matrix_set(A, i, 1, a.x[i]);
-    gsl_matrix_set(A, i, 2, b.x[i]);
+    gsl_matrix_set(A, i, 0, a[i]*a[i] + b[i]*b[i] + c[i]*c[i]);
+    gsl_matrix_set(A, i, 1, a[i]);
+    gsl_matrix_set(A, i, 2, b[i]);
   }
   m14 = DetGet(A, 1);
@@ -83 +84 @@
     eLog() << Verbose(1) << "three points are colinear." << endl;
 
-  center->x[0] =  0.5 * m12/ m11;
-  center->x[1] = -0.5 * m13/ m11;
-  center->x[2] =  0.5 * m14/ m11;
+  center->at(0) =  0.5 * m12/ m11;
+  center->at(1) = -0.5 * m13/ m11;
+  center->at(2) =  0.5 * m14/ m11;
 
   if (fabs(a.Distance(center) - RADIUS) > MYEPSILON)
@@ -281 +282 @@
   Vector SideA,SideB,HeightA, HeightB;
   for (int i=0;i<NDIM;i++)
-    intersection.x[i] = gsl_vector_get(x, i);
+    intersection[i] = gsl_vector_get(x, i);
 
   SideA.CopyVector(&(I->x1));
@@ -336 +337 @@
     /* Starting point */
     x = gsl_vector_alloc(NDIM);
-    gsl_vector_set(x, 0, point1.x[0]);
-    gsl_vector_set(x, 1, point1.x[1]);
-    gsl_vector_set(x, 2, point1.x[2]);
+    gsl_vector_set(x, 0, point1[0]);
+    gsl_vector_set(x, 1, point1[1]);
+    gsl_vector_set(x, 2, point1[2]);
 
     /* Set initial step sizes to 1 */
@@ -372 +373 @@
   double t1, t2;
   for (int i = 0; i < NDIM; i++) {
-    intersection.x[i] = gsl_vector_get(s->x, i);
+    intersection[i] = gsl_vector_get(s->x, i);
   }
 
@@ -700 +701 @@
   // calculate the intersection between this projected baseline and Base
   Vector *Intersection = new Vector;
-  Intersection->GetIntersectionOfTwoLinesOnPlane(Base->endpoints[0]->node->node, Base->endpoints[1]->node->node, &NewOffset, &NewDirection, &Normal);
+  *Intersection = GetIntersectionOfTwoLinesOnPlane(*(Base->endpoints[0]->node->node),
+                                                   *(Base->endpoints[1]->node->node),
+                                                     NewOffset, NewDirection);
   Normal.CopyVector(Intersection);
   Normal.SubtractVector(Base->endpoints[0]->node->node);
@@ -747 +750 @@
       *vrmlfile << "Sphere {" << endl << "  "; // 2 is sphere type
       for (i=0;i<NDIM;i++)
-        *vrmlfile << Walker->node->x[i]-center->x[i] << " ";
+        *vrmlfile << Walker->node->at(i)-center->at(i) << " ";
       *vrmlfile << "\t0.1\t1. 1. 1." << endl; // radius 0.05 and white as colour
       cloud->GoToNext();
@@ -757 +760 @@
       for (i=0;i<3;i++) { // print each node
         for (int j=0;j<NDIM;j++)  // and for each node all NDIM coordinates
-          *vrmlfile << TriangleRunner->second->endpoints[i]->node->node->x[j]-center->x[j] << " ";
+          *vrmlfile << TriangleRunner->second->endpoints[i]->node->node->at(j)-center->at(j) << " ";
         *vrmlfile << "\t";
       }
@@ -792 +795 @@
     *rasterfile << "# current virtual sphere\n";
     *rasterfile << "8\n  25.0    0.6     -1.0 -1.0 -1.0     0.2        0 0 0 0\n";
-    *rasterfile << "2\n  " << helper.x[0] << " " << helper.x[1] << " " << helper.x[2] << "\t" << 5. << "\t1 0 0\n";
+    *rasterfile << "2\n  " << helper[0] << " " << helper[1] << " " << helper[2] << "\t" << 5. << "\t1 0 0\n";
     *rasterfile << "9\n  terminating special property\n";
     delete(center);
@@ -820 +823 @@
       *rasterfile << "2" << endl << "  ";  // 2 is sphere type
       for (i=0;i<NDIM;i++)
-        *rasterfile << Walker->node->x[i]-center->x[i] << " ";
+        *rasterfile << Walker->node->at(i)-center->at(i) << " ";
       *rasterfile << "\t0.1\t1. 1. 1." << endl; // radius 0.05 and white as colour
       cloud->GoToNext();
@@ -831 +834 @@
       for (i=0;i<3;i++) {  // print each node
         for (int j=0;j<NDIM;j++)  // and for each node all NDIM coordinates
-          *rasterfile << TriangleRunner->second->endpoints[i]->node->node->x[j]-center->x[j] << " ";
+          *rasterfile << TriangleRunner->second->endpoints[i]->node->node->at(j)-center->at(j) << " ";
         *rasterfile << "\t";
       }
@@ -877 +880 @@
       Walker = target->second->node;
       LookupList[Walker->nr] = Counter++;
-      *tecplot << Walker->node->x[0] << " " << Walker->node->x[1] << " " << Walker->node->x[2] << " " << target->second->value << endl;
+      *tecplot << Walker->node->at(0) << " " << Walker->node->at(1) << " " << Walker->node->at(2) << " " << target->second->value << endl;
     }
     *tecplot << endl;