Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
|
Last change
on this file since da32f4 was b760bc3, checked in by Frederik Heber <heber@…>, 13 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
|
| Rev | Line | |
|---|
| [b760bc3] | 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.
