5 #ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H
6 #define BALL_MOLMEC_PARAMETER_ATOMTYPES_H
8 #ifndef BALL_FORMAT_PARAMETERSECTION_H
12 #ifndef BALL_KERNEL_ATOM_H
16 #define BALL_ATOM_WILDCARD_NAME "*"
17 #define BALL_ATOM_UNKNOWN_NAME "?"
21 class ForceFieldParameters;
60 const String& section_name =
"AtomTypes") ;
BALL_EXPORT bool operator==(const String &s1, const String &s2)
Atom::Type getType(const String &name) const
AtomTypes(const AtomTypes &atom_types)
virtual bool extractSection(Parameters ¶meters, const String §ion_name="AtomTypes")
String getTypeName(Atom::Type type) const
StringHashMap< Atom::Type > type_map_
bool hasType(const String &name) const
Size getNumberOfTypes() const