Changeset 072f0e


Ignore:
Timestamp:
Aug 9, 2012, 12:51:10 PM (13 years ago)
Author:
Michael Ankele <ankele@…>
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:
59ec04
Parents:
05a05e
git-author:
Michael Ankele <ankele@…> (08/07/12 15:16:28)
git-committer:
Michael Ankele <ankele@…> (08/09/12 12:51:10)
Message:

Refactoring: renamed OutputAction -> OutputAsAction

Files:
11 edited
3 moved

Legend:

Unmodified
Added
Removed

  • src/Actions/GlobalListOfActions.hpp

    r05a05e r072f0e  
    7676  (WorldSetWorldTime) \
    7777  (WorldSetBoundaryConditions) \
    78   (WorldOutput) \
     78  (WorldOutputAs) \
    7979  (WorldSetDefaultName) \
    8080  (WorldScaleBox) \

  • src/Actions/Makefile.am

    r05a05e r072f0e  
    423423  Actions/WorldAction/ChangeBoxAction.cpp \
    424424  Actions/WorldAction/InputAction.cpp \
    425   Actions/WorldAction/OutputAction.cpp \
     425  Actions/WorldAction/OutputAsAction.cpp \
    426426  Actions/WorldAction/RepeatBoxAction.cpp \
    427427  Actions/WorldAction/ScaleBoxAction.cpp \
    … …  
    436436  Actions/WorldAction/ChangeBoxAction.hpp \
    437437  Actions/WorldAction/InputAction.hpp \
    438   Actions/WorldAction/OutputAction.hpp \
     438  Actions/WorldAction/OutputAsAction.hpp \
    439439  Actions/WorldAction/RepeatBoxAction.hpp \
    440440  Actions/WorldAction/ScaleBoxAction.hpp \
    … …  
    449449  Actions/WorldAction/ChangeBoxAction.def \
    450450  Actions/WorldAction/InputAction.def \
    451   Actions/WorldAction/OutputAction.def \
     451  Actions/WorldAction/OutputAsAction.def \
    452452  Actions/WorldAction/RepeatBoxAction.def \
    453453  Actions/WorldAction/ScaleBoxAction.def \

  • src/Actions/WorldAction/OutputAsAction.cpp

    r05a05e r072f0e  
    77
    88/*
    9  * OutputAction.cpp
     9 * OutputAsAction.cpp
    1010 *
    1111 *  Created on: May 8, 2010
    … …  
    3030#include <boost/filesystem/fstream.hpp>
    3131
    32 #include "Actions/WorldAction/OutputAction.hpp"
     32#include "Actions/WorldAction/OutputAsAction.hpp"
    3333
    3434using namespace MoleCuilder;
    3535
    3636// and construct the stuff
    37 #include "OutputAction.def"
     37#include "OutputAsAction.def"
    3838#include "Action_impl_pre.hpp"
    3939/** =========== define the function ====================== */
    40 Action::state_ptr WorldOutputAction::performCall() {
     40Action::state_ptr WorldOutputAsAction::performCall() {
    4141  LOG(1, "Storing world to file " << params.filename.get() << ".");
    4242
    … …  
    7272}
    7373
    74 Action::state_ptr WorldOutputAction::performUndo(Action::state_ptr _state) {
     74Action::state_ptr WorldOutputAsAction::performUndo(Action::state_ptr _state) {
    7575//  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
    7676
    … …  
    8282}
    8383
    84 Action::state_ptr WorldOutputAction::performRedo(Action::state_ptr _state){
     84Action::state_ptr WorldOutputAsAction::performRedo(Action::state_ptr _state){
    8585  return Action::failure;
    8686}
    8787
    88 bool WorldOutputAction::canUndo() {
     88bool WorldOutputAsAction::canUndo() {
    8989  return false;
    9090}
    9191
    92 bool WorldOutputAction::shouldUndo() {
     92bool WorldOutputAsAction::shouldUndo() {
    9393  return false;
    9494}

  • src/Actions/WorldAction/OutputAsAction.def

    r05a05e r072f0e  
    11/*
    2  * OutputAction.def
     2 * OutputAsAction.def
    33 *
    44 *  Created on: Aug 26, 2010
    … …  
    1717// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
    1818#define paramtypes (boost::filesystem::path)
    19 #define paramtokens ("output")
     19#define paramtokens ("output-as")
    2020#define paramdescriptions ("filename to write to")
    2121#undef paramdefaults
    … …  
    3131#define MENUNAME "world"
    3232#define MENUPOSITION 7
    33 #define ACTIONNAME Output
    34 #define TOKEN "output"
     33#define ACTIONNAME OutputAs
     34#define TOKEN "output-as"
    3535
    3636

  • src/Actions/WorldAction/OutputAsAction.hpp

    r05a05e r072f0e  
    11/*
    2  * OutputAction.hpp
     2 * OutputAsAction.hpp
    33 *
    44 *  Created on: May 8, 2010
    … …  
    66 */
    77
    8 #ifndef OUTPUTACTION_HPP_
    9 #define OUTPUTACTION_HPP_
     8#ifndef OUTPUTASACTION_HPP_
     9#define OUTPUTASACTION_HPP_
    1010
    1111// include config.h
    … …  
    1717#include "Actions/Action.hpp"
    1818
    19 #include "OutputAction.def"
     19#include "OutputAsAction.def"
    2020#include "Action_impl_header.hpp"
    2121
    22 #endif /* OUTPUTACTION_HPP_ */
     22#endif /* OUTPUTASACTION_HPP_ */

  • tests/Python/AllActions/missing.dat

    r05a05e r072f0e  
    8888change-box
    8989input
    90 output
     90output-as
    9191repeat-box
    9292scale-box

  • tests/Python/AllActions/options.dat

    r05a05e r072f0e  
    9999output-file     "waterbox-mirrored_values.dat"
    100100output-file     "waterbox_values.dat"
    101 output  "store.conf"
    102 output  "store.data"
    103 output  "store.pdb"
    104 output  "store.xyz"
    105 output  "test.in"
     101output-as       "store.conf"
     102output-as       "store.data"
     103output-as       "store.pdb"
     104output-as       "store.xyz"
     105output-as       "test.in"
    106106output-types    "xyz"
    107107output-types    "xyz mpqc"

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at

    r05a05e r072f0e  
    44AT_KEYWORDS([parser output mpqc xyz])
    55
    6 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/test.xyz --output test.in], 0, [ignore], [ignore])
     6AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/test.xyz --output-as test.in], 0, [ignore], [ignore])
    77AT_CHECK([file=test.in; diff $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/test.in], 0, [ignore], [ignore])
    88

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at

    r05a05e r072f0e  
    55AT_KEYWORDS([parser output pcp])
    66
    7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --output store.conf], 0, [ignore], [ignore])
     7AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --output-as store.conf], 0, [ignore], [ignore])
    88AT_CHECK([diff store.conf ${abs_top_srcdir}/tests/regression/Parser/Pcp/post/test.conf], 0, [ignore], [ignore])
    99

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at

    r05a05e r072f0e  
    44AT_SETUP([Parser - saving pdb file])
    55AT_KEYWORDS([parser output pdb])
    6 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --output store.pdb], 0, [ignore], [ignore])
     6AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --output-as store.pdb], 0, [ignore], [ignore])
    77AT_CHECK([diff -I '.*created by molecuilder.*' store.pdb ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
    88AT_CLEANUP

  • tests/regression/Parser/Psi3/testsuite-parser-psi3-save.at

    r05a05e r072f0e  
    55
    66file=test.psi
    7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/test.xyz --output $file], 0, [ignore], [ignore])
     7AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/test.xyz --output-as $file], 0, [ignore], [ignore])
    88AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/$file], 0, [ignore], [ignore])
    99

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at

    r05a05e r072f0e  
    55AT_KEYWORDS([parser output tremolo])
    66
    7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.data --output store.data], 0, [ignore], [ignore])
     7AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.data --output-as store.data], 0, [ignore], [ignore])
    88AT_CHECK([diff -w -I '#.*' store.data ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/test.data], 0, [ignore], [ignore])
    99

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at

    r05a05e r072f0e  
    55AT_KEYWORDS([parser output xyz])
    66
    7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --output store.xyz], 0, [ignore], [ignore])
     7AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --output-as store.xyz], 0, [ignore], [ignore])
    88AT_CHECK([diff -I '.*Created by molecuilder.*' store.xyz ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
    99

  • utils/Python/boxmaker.py.in

    r05a05e r072f0e  
    339339mol.WorldCenterInBox('%f 0 0 %f 0 %f' % tuple(cell))
    340340mol.WorldRepeatBox('%d %d %d' % tuple(nbox))
    341 mol.WorldOutput(opt.outfilename + '.data')
    342 mol.WorldOutput(opt.outfilename + '.xyz')
     341mol.WorldOutputAs(opt.outfilename + '.data')
     342mol.WorldOutputAs(opt.outfilename + '.xyz')
    343343
    344344domain = [0.0]*3
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