Changeset cd406d

Timestamp:

Apr 6, 2011, 1:50:40 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:

888743

Parents:

6f68d6

git-author:

Frederik Heber <heber@…> (04/01/11 13:24:08)

git-committer:

Frederik Heber <heber@…> (04/06/11 13:50:40)

Message:

Moved sign() from Helpers/helpers to LinearAlgebra/fast_functions.hpp.

Location:

src

Files:

• Helpers/helpers.cpp (modified) (1 diff)
• Helpers/helpers.hpp (modified) (1 diff)
• LinearAlgebra/Plane.cpp (modified) (1 diff)
• LinearAlgebra/fast_functions.hpp (modified) (2 diffs)

src/Helpers/helpers.cpp

@@ -75 +75 @@
 }
 
-sign_t sign(double value){
-  if(fabs(value)<MYEPSILON){
-    return Zero;
-  }
-  if(value<0)
-    return Minus;
-  else
-    return Plus;
-}

src/Helpers/helpers.hpp

@@ -44 +44 @@
   //__attribute__ ((__return__));
 
-typedef enum {
-  Minus = -1,
-  Zero = 0,
-  Plus = +1
-} sign_t;
-
 char *FixedDigitNumber(const int FragmentNumber, const int digits);
 void performCriticalExit();
-sign_t sign(double value);
 
 /********************************************** helpful template functions *********************************/

src/LinearAlgebra/Plane.cpp

@@ -31 +31 @@
 #include "Helpers/helpers.hpp"
 #include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/fast_functions.hpp"
 #include "LinearAlgebra/Line.hpp"
 #include "LinearAlgebra/Plane.hpp"

src/LinearAlgebra/fast_functions.hpp

@@ -14 +14 @@
 #endif
 
+#include <cmath>
 
 #include "Helpers/defs.hpp"
@@ -25 +26 @@
  */
 
+typedef enum {
+  Minus = -1,
+  Zero = 0,
+  Plus = +1
+} sign_t;
+
+
 /********************************* Functions ************************************************/
+
+/** Gives numerical sign of some \a value.
+ *
+ * @param value to check
+ * @return enumerated sign_t of value
+ */
+inline sign_t sign(double value)
+{
+  if(fabs(value)<MYEPSILON){
+    return Zero;
+  }
+  if(value<0)
+    return Minus;
+  else
+    return Plus;
+}
+
 
 /** hard-coded determinant of a 3x3 matrix.