Changeset f0025d

Timestamp:

Aug 9, 2013, 2:20:35 PM (12 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:

0f5d38

Parents:

d449a9

git-author:

Frederik Heber <heber@…> (06/25/13 09:29:54)

git-committer:

Frederik Heber <heber@…> (08/09/13 14:20:35)

Message:

Renamed getFragmentSpecificExtractor() -> getSpecificExtractor().

Location:

src

Files:

• Actions/FragmentationAction/FitPotentialAction.cpp (modified) (2 diffs)
• FunctionApproximation/FunctionModel.hpp (modified) (1 diff)
• Potentials/CompoundPotential.cpp (modified) (1 diff)
• Potentials/CompoundPotential.hpp (modified) (1 diff)
• Potentials/Specifics/ConstantPotential.cpp (modified) (1 diff)
• Potentials/Specifics/ConstantPotential.hpp (modified) (1 diff)
• Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) (1 diff)
• Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Angle.cpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Angle.hpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Harmonic.cpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Harmonic.hpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Morse.cpp (modified) (1 diff)
• Potentials/Specifics/PairPotential_Morse.hpp (modified) (1 diff)

src/Actions/FragmentationAction/FitPotentialAction.cpp

@@ -215 +215 @@
   {
     // Afterwards we go through all of this type and gather the distance and the energy value
-    TrainingData data(model->getFragmentSpecificExtractor());
+    TrainingData data(model->getSpecificExtractor());
     data(homologies.getHomologousGraphs(graph));
 
@@ -293 +293 @@
 
       // create arguments from the fragment
-      FunctionModel::extractor_t extractor = model->getFragmentSpecificExtractor();
+      FunctionModel::extractor_t extractor = model->getSpecificExtractor();
       FunctionModel::arguments_t args = extractor(fragment, 1);
 

src/FunctionApproximation/FunctionModel.hpp

@@ -129 +129 @@
    * \return bound function extracting distances from a fragment
    */
-  virtual extractor_t getFragmentSpecificExtractor() const=0;
+  virtual extractor_t getSpecificExtractor() const=0;
 };
 

src/Potentials/CompoundPotential.cpp

@@ -430 +430 @@
 }
 
-FunctionModel::extractor_t CompoundPotential::getFragmentSpecificExtractor() const
+FunctionModel::extractor_t CompoundPotential::getSpecificExtractor() const
 {
   // create initial returnfunction

src/Potentials/CompoundPotential.hpp

@@ -129 +129 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
 private:

src/Potentials/Specifics/ConstantPotential.cpp

@@ -162 +162 @@
 
 FunctionModel::extractor_t
-ConstantPotential::getFragmentSpecificExtractor() const
+ConstantPotential::getSpecificExtractor() const
 {
   Fragment::charges_t charges;

src/Potentials/Specifics/ConstantPotential.hpp

@@ -161 +161 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
   enum parameter_enum_t {

src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp

@@ -688 +688 @@
 
 FunctionModel::extractor_t
-ManyBodyPotential_Tersoff::getFragmentSpecificExtractor() const
+ManyBodyPotential_Tersoff::getSpecificExtractor() const
 {
   FunctionModel::extractor_t returnfunction =

src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp

@@ -186 +186 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
   /** Sets the magic triple function that we use for getting angle distances.

src/Potentials/Specifics/PairPotential_Angle.cpp

@@ -206 +206 @@
 
 FunctionModel::extractor_t
-PairPotential_Angle::getFragmentSpecificExtractor() const
+PairPotential_Angle::getSpecificExtractor() const
 {
   Fragment::charges_t charges;

src/Potentials/Specifics/PairPotential_Angle.hpp

@@ -164 +164 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
   enum parameter_enum_t {

src/Potentials/Specifics/PairPotential_Harmonic.cpp

@@ -183 +183 @@
 
 FunctionModel::extractor_t
-PairPotential_Harmonic::getFragmentSpecificExtractor() const
+PairPotential_Harmonic::getSpecificExtractor() const
 {
   Fragment::charges_t charges;

src/Potentials/Specifics/PairPotential_Harmonic.hpp

@@ -146 +146 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
   /** Return the token name of this specific potential.

src/Potentials/Specifics/PairPotential_Morse.cpp

@@ -212 +212 @@
 
 FunctionModel::extractor_t
-PairPotential_Morse::getFragmentSpecificExtractor() const
+PairPotential_Morse::getSpecificExtractor() const
 {
   Fragment::charges_t charges;

src/Potentials/Specifics/PairPotential_Morse.hpp

@@ -163 +163 @@
    * \return bound function extracting distances from a fragment
    */
-  FunctionModel::extractor_t getFragmentSpecificExtractor() const;
+  FunctionModel::extractor_t getSpecificExtractor() const;
 
   enum parameter_enum_t {