Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 1c350e0 was 1259df, checked in by Frederik Heber <heber@…>, 10 years ago |
|
Replaced World::getAllMolecules() wherever possible by const version.
|
-
Property mode
set to
100644
|
|
File size:
1.2 KB
|
| Rev | Line | |
|---|
| [1fd675] | 1 | /*
|
|---|
| 2 | * NotMoleculeByFormulaAction.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 | class molecule;
|
|---|
| 10 |
|
|---|
| [23958d] | 11 | #include "Parameters/Validators/Specific/FormulaValidator.hpp"
|
|---|
| [649aaa] | 12 |
|
|---|
| [1fd675] | 13 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 14 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| [6ba9ba] | 15 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| [1fd675] | 16 | #define paramtypes (std::string)
|
|---|
| [b9bfa6] | 17 | #define paramtokens ("unselect-molecules-by-formula")
|
|---|
| [e4afb4] | 18 | #define paramdescriptions ("chemical formula")
|
|---|
| 19 | #undef paramdefaults
|
|---|
| [1fd675] | 20 | #define paramreferences (formula)
|
|---|
| [23958d] | 21 | #define paramvalids \
|
|---|
| 22 | (FormulaValidator())
|
|---|
| [1fd675] | 23 |
|
|---|
| [1259df] | 24 | #define statetypes (std::vector<const molecule*>)
|
|---|
| [92d756] | 25 | #define statereferences (unselectedMolecules)
|
|---|
| [1fd675] | 26 |
|
|---|
| 27 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 28 | #define CATEGORY Selection
|
|---|
| [052bfd8] | 29 | #define MENUNAME "selection"
|
|---|
| 30 | #define MENUPOSITION 19
|
|---|
| [1fd675] | 31 | #define ACTIONNAME NotMoleculeByFormula
|
|---|
| [b9bfa6] | 32 | #define TOKEN "unselect-molecules-by-formula"
|
|---|
| [1fd675] | 33 |
|
|---|
| [24fbf3] | 34 |
|
|---|
| 35 | // finally the information stored in the ActionTrait specialization
|
|---|
| 36 | #define DESCRIPTION "unselect a molecule by chemical formula"
|
|---|
| 37 | #undef SHORTFORM
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
