Ignore:
Timestamp:
Aug 12, 2013, 11:30:33 AM (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:
93909a
Parents:
24e19e
git-author:
Frederik Heber <heber@…> (07/26/13 09:08:31)
git-committer:
Frederik Heber <heber@…> (08/12/13 11:30:33)
Message:

Moved all FragmentationActions related to potentials into own menu and folder.

  • changed class names Fragmentation... -> Potential...
  • changed tokens in GlobalListOfActions.
  • added menu entry "potential" and CommandLineParser program_options variable.
  • moved regression tests into own folder as well and renamed folder in files.
Location:
src/Actions/PotentialAction
Files:
12 moved

Legend:

Unmodified
Added
Removed

  • src/Actions/PotentialAction/FitParticleChargesAction.cpp

    r24e19e rf5724f  
    5050#include <string>
    5151
    52 #include "Actions/FragmentationAction/FitParticleChargesAction.hpp"
     52#include "Actions/PotentialAction/FitParticleChargesAction.hpp"
    5353
    5454#include "Potentials/PartialNucleiChargeFitter.hpp"
    … …  
    109109}
    110110
    111 Action::state_ptr FragmentationFitParticleChargesAction::performCall() {
     111Action::state_ptr PotentialFitParticleChargesAction::performCall() {
    112112
    113113  // fragment specifies the homology fragment to use
    … …  
    155155}
    156156
    157 Action::state_ptr FragmentationFitParticleChargesAction::performUndo(Action::state_ptr _state) {
     157Action::state_ptr PotentialFitParticleChargesAction::performUndo(Action::state_ptr _state) {
    158158  return Action::success;
    159159}
    160160
    161 Action::state_ptr FragmentationFitParticleChargesAction::performRedo(Action::state_ptr _state){
     161Action::state_ptr PotentialFitParticleChargesAction::performRedo(Action::state_ptr _state){
    162162  return Action::success;
    163163}
    164164
    165 bool FragmentationFitParticleChargesAction::canUndo() {
     165bool PotentialFitParticleChargesAction::canUndo() {
    166166  return false;
    167167}
    168168
    169 bool FragmentationFitParticleChargesAction::shouldUndo() {
     169bool PotentialFitParticleChargesAction::shouldUndo() {
    170170  return false;
    171171}

  • src/Actions/PotentialAction/FitParticleChargesAction.def

    r24e19e rf5724f  
    3333
    3434// some defines for all the names, you may use ACTION, STATE and PARAMS
    35 #define CATEGORY Fragmentation
    36 #define MENUNAME "fragmentation"
    37 #define MENUPOSITION 9
     35#define CATEGORY Potential
     36#define MENUNAME "potential"
     37#define MENUPOSITION 4
    3838#define ACTIONNAME FitParticleCharges
    3939#define TOKEN "fit-particle-charges"

  • src/Actions/PotentialAction/FitPotentialAction.cpp

    r24e19e rf5724f  
    4747#include <sstream>
    4848
    49 #include "Actions/FragmentationAction/FitPotentialAction.hpp"
     49#include "Actions/PotentialAction/FitPotentialAction.hpp"
    5050
    5151#include "CodePatterns/Log.hpp"
    … …  
    113113}
    114114
    115 Action::state_ptr FragmentationFitPotentialAction::performCall() {
     115Action::state_ptr PotentialFitPotentialAction::performCall() {
    116116  // fragment specifies the homology fragment to use
    117117  SerializablePotential::ParticleTypes_t fragmentnumbers;
    … …  
    211211  FunctionModel *model = new CompoundPotential(graph);
    212212  ASSERT( model != NULL,
    213       "FragmentationFitPotentialAction::performCall() - model is NULL.");
     213      "PotentialFitPotentialAction::performCall() - model is NULL.");
    214214
    215215  /******************** TRAINING ********************/
    … …  
    339339}
    340340
    341 Action::state_ptr FragmentationFitPotentialAction::performUndo(Action::state_ptr _state) {
     341Action::state_ptr PotentialFitPotentialAction::performUndo(Action::state_ptr _state) {
    342342  return Action::success;
    343343}
    344344
    345 Action::state_ptr FragmentationFitPotentialAction::performRedo(Action::state_ptr _state){
     345Action::state_ptr PotentialFitPotentialAction::performRedo(Action::state_ptr _state){
    346346  return Action::success;
    347347}
    348348
    349 bool FragmentationFitPotentialAction::canUndo() {
     349bool PotentialFitPotentialAction::canUndo() {
    350350  return false;
    351351}
    352352
    353 bool FragmentationFitPotentialAction::shouldUndo() {
     353bool PotentialFitPotentialAction::shouldUndo() {
    354354  return false;
    355355}

  • src/Actions/PotentialAction/FitPotentialAction.def

    r24e19e rf5724f  
    4242
    4343// some defines for all the names, you may use ACTION, STATE and PARAMS
    44 #define CATEGORY Fragmentation
    45 #define MENUNAME "fragmentation"
    46 #define MENUPOSITION 6
     44#define CATEGORY Potential
     45#define MENUNAME "potential"
     46#define MENUPOSITION 3
    4747#define ACTIONNAME FitPotential
    4848#define TOKEN "fit-potential"

  • src/Actions/PotentialAction/ParseHomologiesAction.cpp

    r24e19e rf5724f  
    4747#include "World.hpp"
    4848
    49 #include "Actions/FragmentationAction/ParseHomologiesAction.hpp"
     49#include "Actions/PotentialAction/ParseHomologiesAction.hpp"
    5050
    5151using namespace MoleCuilder;
    … …  
    7676}
    7777
    78 Action::state_ptr FragmentationParseHomologiesAction::performCall()
     78Action::state_ptr PotentialParseHomologiesAction::performCall()
    7979{
    8080  // append all keysets to homology file
    … …  
    9191}
    9292
    93 Action::state_ptr FragmentationParseHomologiesAction::performUndo(Action::state_ptr _state) {
     93Action::state_ptr PotentialParseHomologiesAction::performUndo(Action::state_ptr _state) {
    9494  return Action::success;
    9595}
    9696
    97 Action::state_ptr FragmentationParseHomologiesAction::performRedo(Action::state_ptr _state){
     97Action::state_ptr PotentialParseHomologiesAction::performRedo(Action::state_ptr _state){
    9898  return Action::success;
    9999}
    100100
    101 bool FragmentationParseHomologiesAction::canUndo() {
     101bool PotentialParseHomologiesAction::canUndo() {
    102102  return false;
    103103}
    104104
    105 bool FragmentationParseHomologiesAction::shouldUndo() {
     105bool PotentialParseHomologiesAction::shouldUndo() {
    106106  return false;
    107107}

  • src/Actions/PotentialAction/ParseHomologiesAction.def

    r24e19e rf5724f  
    2424
    2525// some defines for all the names, you may use ACTION, STATE and PARAMS
    26 #define CATEGORY Fragmentation
    27 #define MENUNAME "fragmentation"
    28 #define MENUPOSITION 7
     26#define CATEGORY Potential
     27#define MENUNAME "potential"
     28#define MENUPOSITION 1
    2929#define ACTIONNAME ParseHomologies
    3030#define TOKEN "parse-homologies"

  • src/Actions/PotentialAction/SaveHomologiesAction.cpp

    r24e19e rf5724f  
    4747#include "World.hpp"
    4848
    49 #include "Actions/FragmentationAction/SaveHomologiesAction.hpp"
     49#include "Actions/PotentialAction/SaveHomologiesAction.hpp"
    5050
    5151using namespace MoleCuilder;
    … …  
    7979}
    8080
    81 Action::state_ptr FragmentationSaveHomologiesAction::performCall()
     81Action::state_ptr PotentialSaveHomologiesAction::performCall()
    8282{
    8383  if (!params.homology_file.get().empty()) {
    … …  
    9393}
    9494
    95 Action::state_ptr FragmentationSaveHomologiesAction::performUndo(Action::state_ptr _state) {
     95Action::state_ptr PotentialSaveHomologiesAction::performUndo(Action::state_ptr _state) {
    9696  return Action::success;
    9797}
    9898
    99 Action::state_ptr FragmentationSaveHomologiesAction::performRedo(Action::state_ptr _state){
     99Action::state_ptr PotentialSaveHomologiesAction::performRedo(Action::state_ptr _state){
    100100  return Action::success;
    101101}
    102102
    103 bool FragmentationSaveHomologiesAction::canUndo() {
     103bool PotentialSaveHomologiesAction::canUndo() {
    104104  return false;
    105105}
    106106
    107 bool FragmentationSaveHomologiesAction::shouldUndo() {
     107bool PotentialSaveHomologiesAction::shouldUndo() {
    108108  return false;
    109109}

  • src/Actions/PotentialAction/SaveHomologiesAction.def

    r24e19e rf5724f  
    2626
    2727// some defines for all the names, you may use ACTION, STATE and PARAMS
    28 #define CATEGORY Fragmentation
    29 #define MENUNAME "fragmentation"
    30 #define MENUPOSITION 8
     28#define CATEGORY Potential
     29#define MENUNAME "potential"
     30#define MENUPOSITION 2
    3131#define ACTIONNAME SaveHomologies
    3232#define TOKEN "save-homologies"
Note: See TracChangeset for help on using the changeset viewer.