source: src/Actions/MoleculeAction/FillWithMoleculeAction.def@ 24fbf3

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
Last change on this file since 24fbf3 was 24fbf3, checked in by Frederik Heber <heber@…>, 14 years ago

All specialization of ActionTraits now contain specific information.

  • new defines in Action_impl_header.hpp: DEFAULTVALUE, DESCRiPTION, SHORTFORM, TYPEINFO.
  • i.e. removed the MapOfActions' short-wiring.
  • script used for extraction is in src/Actions/convert.sh.
  • we cause a compilation error if DESCRIPTION or TYPEINFO are missing.
  • FIX: added some typeinfos as void where missing.
  • Property mode set to 100644
File size: 1.1 KB
Line 
1/*
2 * FillWithMoleculeAction.def
3 *
4 * Created on: Aug 26, 2010
5 * Author: heber
6 */
7
8// all includes and forward declarations necessary for non-integral types below
9#include "LinearAlgebra/Vector.hpp"
10class MoleculeListClass;
11
12// i.e. there is an integer with variable name Z that can be found in
13// ValueStorage by the token "Z" -> first column: int, Z, "Z"
14// "undefine" if no parameters are required
15#define paramtypes (std::string) (Vector) (Vector) (double) (bool)
16#define paramtokens (MoleculeFillWithMoleculeAction::NAME) ("distances") ("lengths") ("MaxDistance") ("DoRotate")
17#define paramreferences (fillername) (distances) (lengths) (MaxDistance) (DoRotate)
18
19#undef statetypes
20#undef statereferences
21
22// some defines for all the names, you may use ACTION, STATE and PARAMS
23#define CATEGORY Molecule
24#define ACTIONNAME FillWithMolecule
25#define TOKEN "fill-molecule"
26
27
28// finally the information stored in the ActionTrait specialization
29#undef DEFAULTVALUE
30#define DESCRIPTION "fill around molecules' surface with a filler molecule"
31#define SHORTFORM "F"
32#define TYPEINFO &typeid(std::string)
Note: See TracBrowser for help on using the repository browser.