44 |
|
|
45 |
|
#include "io/SectionParser.hpp" |
46 |
|
#include "types/AtomType.hpp" |
47 |
+ |
#include "io/ForceFieldOptions.hpp" |
48 |
|
|
49 |
|
namespace oopse { |
50 |
|
|
53 |
|
*/ |
54 |
|
class EAMAtomTypesSectionParser : public SectionParser { |
55 |
|
public: |
56 |
< |
EAMAtomTypesSectionParser(); |
56 |
> |
EAMAtomTypesSectionParser(ForceFieldOptions& options); |
57 |
|
|
58 |
|
private: |
59 |
|
virtual void parseLine(ForceField& ff, const std::string& line, int lineNo); |
60 |
|
void parseEAMParamFile(ForceField& ff, AtomType* atomType, const std::string& potentialParamFile, int iden); |
61 |
< |
void parseEAMArray(std::istream& input, std::vector<double>& array, int num); |
61 |
> |
void parseEAMArray(std::istream& input, std::vector<RealType>& array, int num); |
62 |
> |
ForceFieldOptions& options_; |
63 |
|
}; |
64 |
|
|
65 |
|
|