Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
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_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4ecb2d was b760bc3, checked in by Frederik Heber <heber@…>, 12 years ago |
Added ParticleTypeChecker functions in own namespace and added checks to every specific potential.
- these check whether typesin argument_t matches with potential's
ParticleTypes.
- replaced row of Asserts with ParticleTypeChecker call in all specific
potentials.
|
-
Property mode
set to
100644
|
File size:
1.2 KB
|
Line | |
---|
1 | /*
|
---|
2 | * ParticleTypeCheckers.hpp
|
---|
3 | *
|
---|
4 | * Created on: Nov 28, 2012
|
---|
5 | * Author: heber
|
---|
6 | */
|
---|
7 |
|
---|
8 | #ifndef PARTICLETYPECHECKERS_HPP_
|
---|
9 | #define PARTICLETYPECHECKERS_HPP_
|
---|
10 |
|
---|
11 |
|
---|
12 | // include config.h
|
---|
13 | #ifdef HAVE_CONFIG_H
|
---|
14 | #include <config.h>
|
---|
15 | #endif
|
---|
16 |
|
---|
17 | #include "FunctionApproximation/FunctionModel.hpp"
|
---|
18 | #include "Potentials/SerializablePotential.hpp"
|
---|
19 |
|
---|
20 | namespace ParticleTypeChecker {
|
---|
21 |
|
---|
22 | /** Checks whether two given vectors of particle types are exactly the same.
|
---|
23 | *
|
---|
24 | * @param args first vector of types
|
---|
25 | * @param types second vector of types
|
---|
26 | * @return true - both vectors are the same.
|
---|
27 | */
|
---|
28 | bool checkArgumentsAgainstParticleTypesStrictOrdering(
|
---|
29 | const FunctionModel::arguments_t &args,
|
---|
30 | const SerializablePotential::ParticleTypes_t &types
|
---|
31 | );
|
---|
32 |
|
---|
33 | /** Checks whether two given vectors of particle types are the same with
|
---|
34 | * permutations allowed.
|
---|
35 | *
|
---|
36 | * @param args first vector of types
|
---|
37 | * @param types second vector of types
|
---|
38 | * @return true - both vectors are the same, might be permuted though
|
---|
39 | */
|
---|
40 | bool checkArgumentsAgainstParticleTypes(
|
---|
41 | const FunctionModel::arguments_t &args,
|
---|
42 | const SerializablePotential::ParticleTypes_t &types
|
---|
43 | );
|
---|
44 |
|
---|
45 | }; /* namespace ParticleTypeChecker */
|
---|
46 |
|
---|
47 |
|
---|
48 | #endif /* PARTICLETYPECHECKERS_HPP_ */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.