Changeset 71129f for src/LinearAlgebra/Line.cpp

Timestamp:

Apr 6, 2011, 1:50:41 PM (14 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:

0a60ee

Parents:

5605793

git-author:

Frederik Heber <heber@…> (04/01/11 14:28:45)

git-committer:

Frederik Heber <heber@…> (04/06/11 13:50:41)

Message:

Removed inclusion of Helpers/...hpp from LinearAlgebra.

• VectorContent needed replacing MYEPSILON by LINALG_MYEPSILON.
• LINALG_MYEPSILON is now function (defines are ugly!) that returns numeric_limits<double>::epsilon()

File:

• src/LinearAlgebra/Line.cpp (modified) (5 diffs)

src/LinearAlgebra/Line.cpp

@@ -134 +134 @@
   //  cout << endl;
   //}
-  if (fabs(M->Determinant()) > LINALG_MYEPSILON) {
+  if (fabs(M->Determinant()) > LINALG_MYEPSILON()) {
     Log() << Verbose(1) << "Determinant of coefficient matrix is NOT zero." << endl;
     throw SkewException(__FILE__,__LINE__);
@@ -148 +148 @@
   Vector d = Line2b - Line1b;
   Log() << Verbose(1) << "INFO: a = " << a << ", b = " << b << ", c = " << c << "." << endl;
-  if ((a.NormSquared() <= LINALG_MYEPSILON) || (b.NormSquared() <= LINALG_MYEPSILON)) {
+  if ((a.NormSquared() <= LINALG_MYEPSILON()) || (b.NormSquared() <= LINALG_MYEPSILON())) {
    res.Zero();
    Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl;
@@ -157 +157 @@
   Vector parallel;
   double factor = 0.;
-  if (fabs(a.ScalarProduct(b)*a.ScalarProduct(b)/a.NormSquared()/b.NormSquared() - 1.) <= LINALG_MYEPSILON) {
+  if (fabs(a.ScalarProduct(b)*a.ScalarProduct(b)/a.NormSquared()/b.NormSquared() - 1.) <= LINALG_MYEPSILON()) {
     parallel = Line1a - Line2a;
     factor = parallel.ScalarProduct(a)/a.Norm();
-    if ((factor > -LINALG_MYEPSILON) && (factor - 1. <= LINALG_MYEPSILON)) {
+    if ((factor > -LINALG_MYEPSILON()) && (factor - 1. <= LINALG_MYEPSILON())) {
       res = Line2a;
       Log() << Verbose(1) << "Lines conincide." << endl;
@@ -167 +167 @@
       parallel = Line1a - Line2b;
       factor = parallel.ScalarProduct(a)/a.Norm();
-      if ((factor > -LINALG_MYEPSILON) && (factor - 1. <= LINALG_MYEPSILON)) {
+      if ((factor > -LINALG_MYEPSILON()) && (factor - 1. <= LINALG_MYEPSILON())) {
         res = Line2b;
         Log() << Verbose(1) << "Lines conincide." << endl;
@@ -186 +186 @@
   temp2.VectorProduct(b);
   Log() << Verbose(1) << "INFO: temp1 = " << temp1 << ", temp2 = " << temp2 << "." << endl;
-  if (fabs(temp2.NormSquared()) > LINALG_MYEPSILON)
+  if (fabs(temp2.NormSquared()) > LINALG_MYEPSILON())
     s = temp1.ScalarProduct(temp2)/temp2.NormSquared();
   else