5 #ifndef BALL_STRUCTURE_ATOMTYPER_H 6 #define BALL_STRUCTURE_ATOMTYPER_H 8 #ifndef BALL_DATATYPE_HASHSET_H 12 #ifndef BALL_DATATYPE_STRINGHASHMAP_H 56 bool setup(
const String& filename);
59 virtual void assignTo(
System& s);
100 #endif // BALL_STRUCTURE_ATOMTYPER_H #define BALL_CREATE(name)
Size number_expected_fields_
vector< vector< String > > fields_
vector< HashSet< Atom * > > aromatic_rings_
virtual void assignSpecificValues_(Atom &)
vector< HashSet< Atom * > > rings_
void setRings(const vector< HashSet< Atom *> > &rings)
static StringHashMap< float > rule_times
StringHashMap< vector< Position > > element_to_rules_
void setAromaticRings(const vector< HashSet< Atom *> > &rings)
virtual bool specificSetup_()
-*- Mode: C++; tab-width: 2; -*-