Changeset 5a8d61 for src/Shapes/ShapeOps.cpp

Timestamp:

Mar 28, 2012, 3:17:38 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, 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:

3e1b7b

Parents:

6acc2f3

git-author:

Frederik Heber <heber@…> (01/19/12 00:55:04)

git-committer:

Frederik Heber <heber@…> (03/28/12 15:17:38)

Message:

Added new function to all Shape: getHomogeneousPointsInVolume().

• basically it is not implemented except for ShapeOps, yet.
• there is an initial unit test Shape_HomogeneousPointsUnitTest.

File:

• src/Shapes/ShapeOps.cpp (modified) (6 diffs)

src/Shapes/ShapeOps.cpp

@@ -19 +19 @@
 
 #include "CodePatterns/MemDebug.hpp"
+
+#include <algorithm>
+#include <boost/bind.hpp>
 
 #include "Shapes/ShapeExceptions.hpp"
@@ -87 +90 @@
 
 std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
-  return getArg()->getHomogeneousPointsOnSurface(N);;
+  return getArg()->getHomogeneousPointsOnSurface(N);
+}
+
+std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
+  return getArg()->getHomogeneousPointsInVolume(N);
 }
 
@@ -128 +135 @@
 std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
   std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
-    *iter *= size;
-  }
-  return PointsOnSurface;
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+                boost::bind(&Vector::operator*, _1, size) );
+  return PointsOnSurface;
+}
+
+std::vector<Vector> Resize_impl::getHomogeneousPointsInVolume(const size_t N) const {
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+                boost::bind(&Vector::operator*, _1, size) );
+        return std::vector<Vector>();
 }
 
@@ -183 +196 @@
 std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
   std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
-    *iter += offset;
-  }
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+                boost::bind(&Vector::operator+, _1, offset) );
+  return PointsOnSurface;
+}
+
+std::vector<Vector> Translate_impl::getHomogeneousPointsInVolume(const size_t N) const {
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+                boost::bind(&Vector::operator+, _1, offset) );
   return PointsOnSurface;
 }
@@ -245 +264 @@
 std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
   std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
-    (*iter).ScaleAll(reciFactors);
-  }
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+                boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
+  return PointsOnSurface;
+}
+
+std::vector<Vector> Stretch_impl::getHomogeneousPointsInVolume(const size_t N) const {
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
+  std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
+      boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
   return PointsOnSurface;
 }
@@ -292 +317 @@
 std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
   std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
-  for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
-    *iter = transformation * (*iter);
-  }
+  std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
+      boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
+  return PointsOnSurface;
+}
+
+std::vector<Vector> Transform_impl::getHomogeneousPointsInVolume(const size_t N) const {
+  std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
+  std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
+      boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
   return PointsOnSurface;
 }