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)
void setAromaticRings(const vector< HashSet< Atom * > > &rings)
Size number_expected_fields_
vector< vector< String > > fields_
vector< HashSet< Atom * > > aromatic_rings_
virtual void assignSpecificValues_(Atom &)
vector< HashSet< Atom * > > rings_
static StringHashMap< float > rule_times
StringHashMap< vector< Position > > element_to_rules_
virtual bool specificSetup_()
-*- Mode: C++; tab-width: 2; -*-
void setRings(const vector< HashSet< Atom * > > &rings)