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
|
Last change
on this file since a87d1e2 was 95cfac, checked in by Frederik Heber <heber@…>, 11 years ago |
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Added FileSuffixValidator to all Actions where missing but appropriate.
- also clean up some unnecessary includes.
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-
Property mode
set to
100644
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File size:
1.4 KB
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| Rev | Line | |
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| [1fd675] | 1 | /*
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| 2 | * BondLengthTableAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| 9 |
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| [632508] | 10 | #include "Graph/BondGraph.hpp"
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| [1fd675] | 11 |
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| [95cfac] | 12 | #include "Parameters/Validators/Ops_Validator.hpp"
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| [23958d] | 13 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| [95cfac] | 14 | #include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
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| [649aaa] | 15 |
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| [1fd675] | 16 | // i.e. there is an integer with variable name Z that can be found in
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| 17 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| [6ba9ba] | 18 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [e4afb4] | 19 | #define paramtypes (boost::filesystem::path)
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| [d57341] | 20 | #define paramtokens ("bond-table")
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| [e4afb4] | 21 | #define paramdescriptions ("name of the bond length table file")
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| 22 | #undef paramdefaults
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| [1fd675] | 23 | #define paramreferences (BondGraphFileName)
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| [23958d] | 24 | #define paramvalids \
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| [95cfac] | 25 | (FilePresentValidator() && (FileSuffixValidator("dat") || FileSuffixValidator("db")))
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| [1fd675] | 26 |
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| [b1ac7a] | 27 | #define statetypes (std::string)
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| 28 | #define statereferences (undostring)
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| [1fd675] | 29 |
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| 30 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 31 | #define CATEGORY Command
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| [052bfd8] | 32 | #define MENUNAME "command"
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| 33 | #define MENUPOSITION 1
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| [1fd675] | 34 | #define ACTIONNAME BondLengthTable
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| 35 | #define TOKEN "bond-table"
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| 36 |
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| [24fbf3] | 37 |
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| 38 | // finally the information stored in the ActionTrait specialization
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| [e4afb4] | 39 | #define DESCRIPTION "specifying a table file with specific bond lengths to use in bond structure analysis"
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| [24fbf3] | 40 | #define SHORTFORM "g"
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