Changeset 76c0d6 for src/Line.cpp

Timestamp:

Jun 4, 2010, 9:28:46 AM (15 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, 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:

2c8934

Parents:

e05826 (diff), 27ac00 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructureRefactoring' into stable

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/periodentafel.cpp

File:

• src/Line.cpp (modified) (2 diffs)

src/Line.cpp

@@ -11 +11 @@
 
 #include "vector.hpp"
-
-Line::Line(Vector &_origin, Vector &_direction) :
-  origin(new Vector(_origin)),
+#include "log.hpp"
+#include "verbose.hpp"
+#include "gslmatrix.hpp"
+#include "info.hpp"
+#include "Exceptions/LinearDependenceException.hpp"
+#include "Exceptions/SkewException.hpp"
+#include "Plane.hpp"
+
+using namespace std;
+
+Line::Line(const Vector &_origin, const Vector &_direction) :
   direction(new Vector(_direction))
 {
   direction->Normalize();
-}
+  origin.reset(new Vector(_origin.partition(*direction).second));
+}
+
+Line::Line(const Line &src) :
+  origin(new Vector(*src.origin)),
+  direction(new Vector(*src.direction))
+{}
 
 Line::~Line()
@@ -24 +38 @@
 
 double Line::distance(const Vector &point) const{
-  return fabs(point.ScalarProduct(*direction) - origin->ScalarProduct(*direction));
+  // get any vector from line to point
+  Vector helper = point - *origin;
+  // partition this vector along direction
+  // the residue points from the line to the point
+  return helper.partition(*direction).second.Norm();
 }
 
 Vector Line::getClosestPoint(const Vector &point) const{
-  double factor = point.ScalarProduct(*direction) - origin->ScalarProduct(*direction);
-  return (point - (factor * (*direction)));
-}
+  // get any vector from line to point
+  Vector helper = point - *origin;
+  // partition this vector along direction
+  // add only the part along the direction
+  return *origin + helper.partition(*direction).first;
+}
+
+Vector Line::getDirection() const{
+  return *direction;
+}
+
+Vector Line::getOrigin() const{
+  return *origin;
+}
+
+vector<Vector> Line::getPointsOnLine() const{
+  vector<Vector> res;
+  res.reserve(2);
+  res.push_back(*origin);
+  res.push_back(*origin+*direction);
+  return res;
+}
+
+/** Calculates the intersection of the two lines that are both on the same plane.
+ * This is taken from Weisstein, Eric W. "Line-Line Intersection." From MathWorld--A Wolfram Web Resource. http://mathworld.wolfram.com/Line-LineIntersection.html
+ * \param *out output stream for debugging
+ * \param *Line1a first vector of first line
+ * \param *Line1b second vector of first line
+ * \param *Line2a first vector of second line
+ * \param *Line2b second vector of second line
+ * \return true - \a this will contain the intersection on return, false - lines are parallel
+ */
+Vector Line::getIntersection(const Line& otherLine) const{
+  Info FunctionInfo(__func__);
+
+  pointset line1Points = getPointsOnLine();
+
+  Vector Line1a = line1Points[0];
+  Vector Line1b = line1Points[1];
+
+  pointset line2Points = otherLine.getPointsOnLine();
+
+  Vector Line2a = line2Points[0];
+  Vector Line2b = line2Points[1];
+
+  Vector res;
+
+  auto_ptr<GSLMatrix> M = auto_ptr<GSLMatrix>(new GSLMatrix(4,4));
+
+  M->SetAll(1.);
+  for (int i=0;i<3;i++) {
+    M->Set(0, i, Line1a[i]);
+    M->Set(1, i, Line1b[i]);
+    M->Set(2, i, Line2a[i]);
+    M->Set(3, i, Line2b[i]);
+  }
+
+  //Log() << Verbose(1) << "Coefficent matrix is:" << endl;
+  //for (int i=0;i<4;i++) {
+  //  for (int j=0;j<4;j++)
+  //    cout << "\t" << M->Get(i,j);
+  //  cout << endl;
+  //}
+  if (fabs(M->Determinant()) > MYEPSILON) {
+    Log() << Verbose(1) << "Determinant of coefficient matrix is NOT zero." << endl;
+    throw SkewException(__FILE__,__LINE__);
+  }
+
+  Log() << Verbose(1) << "INFO: Line1a = " << Line1a << ", Line1b = " << Line1b << ", Line2a = " << Line2a << ", Line2b = " << Line2b << "." << endl;
+
+
+  // constuct a,b,c
+  Vector a = Line1b - Line1a;
+  Vector b = Line2b - Line2a;
+  Vector c = Line2a - Line1a;
+  Vector d = Line2b - Line1b;
+  Log() << Verbose(1) << "INFO: a = " << a << ", b = " << b << ", c = " << c << "." << endl;
+  if ((a.NormSquared() < MYEPSILON) || (b.NormSquared() < MYEPSILON)) {
+   res.Zero();
+   Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl;
+   throw LinearDependenceException(__FILE__,__LINE__);
+  }
+
+  // check for parallelity
+  Vector parallel;
+  double factor = 0.;
+  if (fabs(a.ScalarProduct(b)*a.ScalarProduct(b)/a.NormSquared()/b.NormSquared() - 1.) < MYEPSILON) {
+    parallel = Line1a - Line2a;
+    factor = parallel.ScalarProduct(a)/a.Norm();
+    if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
+      res = Line2a;
+      Log() << Verbose(1) << "Lines conincide." << endl;
+      return res;
+    } else {
+      parallel = Line1a - Line2b;
+      factor = parallel.ScalarProduct(a)/a.Norm();
+      if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
+        res = Line2b;
+        Log() << Verbose(1) << "Lines conincide." << endl;
+        return res;
+      }
+    }
+    Log() << Verbose(1) << "Lines are parallel." << endl;
+    res.Zero();
+    throw LinearDependenceException(__FILE__,__LINE__);
+  }
+
+  // obtain s
+  double s;
+  Vector temp1, temp2;
+  temp1 = c;
+  temp1.VectorProduct(b);
+  temp2 = a;
+  temp2.VectorProduct(b);
+  Log() << Verbose(1) << "INFO: temp1 = " << temp1 << ", temp2 = " << temp2 << "." << endl;
+  if (fabs(temp2.NormSquared()) > MYEPSILON)
+    s = temp1.ScalarProduct(temp2)/temp2.NormSquared();
+  else
+    s = 0.;
+  Log() << Verbose(1) << "Factor s is " << temp1.ScalarProduct(temp2) << "/" << temp2.NormSquared() << " = " << s << "." << endl;
+
+  // construct intersection
+  res = a;
+  res.Scale(s);
+  res += Line1a;
+  Log() << Verbose(1) << "Intersection is at " << res << "." << endl;
+
+  return res;
+}
+
+/** Rotates the vector by an angle of \a alpha around this line.
+ * \param rhs Vector to rotate
+ * \param alpha rotation angle in radian
+ */
+Vector Line::rotateVector(const Vector &rhs, double alpha) const{
+  Vector helper = rhs;
+
+  // translate the coordinate system so that the line goes through (0,0,0)
+  helper -= *origin;
+
+  // partition the vector into a part that gets rotated and a part that lies along the line
+  pair<Vector,Vector> parts = helper.partition(*direction);
+
+  // we just keep anything that is along the axis
+  Vector res = parts.first;
+
+  // the rest has to be rotated
+  Vector a = parts.second;
+  // we only have to do the rest, if we actually could partition the vector
+  if(!a.IsZero()){
+    // construct a vector that is orthogonal to a and direction and has length |a|
+    Vector y = a;
+    // direction is normalized, so the result has length |a|
+    y.VectorProduct(*direction);
+
+    res += cos(alpha) * a + sin(alpha) * y;
+  }
+
+  // translate the coordinate system back
+  res += *origin;
+  return res;
+}
+
+Plane Line::getOrthogonalPlane(const Vector &origin) const{
+  return Plane(getDirection(),origin);
+}
+
+Line makeLineThrough(const Vector &x1, const Vector &x2){
+  if(x1==x2){
+    throw LinearDependenceException(__FILE__,__LINE__);
+  }
+  return Line(x1,x1-x2);
+}