25 |
|
|
26 |
|
#include "io/DipoleAtomTypesSectionParser.hpp" |
27 |
|
#include "types/DirectionalAtomType.hpp" |
28 |
+ |
#include "UseTheForce/ForceField.hpp" |
29 |
|
|
30 |
|
namespace oopse { |
31 |
|
|
44 |
|
} else { |
45 |
|
|
46 |
|
std::string atomTypeName = tokenizer.nextToken(); |
47 |
< |
AtomType* atomType = ff ->getAtomType(atomTypeName); |
47 |
> |
AtomType* atomType = ff.getAtomType(atomTypeName); |
48 |
|
|
49 |
|
if (atomType != NULL) { |
50 |
|
DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
51 |
|
|
52 |
|
if (dAtomType != NULL) { |
53 |
< |
double dipole = tokenizer.nextToken(); |
53 |
> |
double dipole = tokenizer.nextTokenAsDouble(); |
54 |
|
dAtomType->addProperty(new DoubleGenericData("Dipole", dipole)); |
55 |
|
dAtomType->setDipole(); |
56 |
|
} else { |