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7 #ifndef BALL_MOLMEC_PARAMETER_RESIDUETORSIONS_H
8 #define BALL_MOLMEC_PARAMETER_RESIDUETORSIONS_H
10 #ifndef BALL_FORMAT_PARAMETERSECTION_H
14 #ifndef BALL_MOLMEC_PARAMETER_ATOMTYPES_H
141 #endif // BALL_MOLMEC_PARAMETER_RESIDUETORSIONS_H
virtual bool extractSection(ForceFieldParameters ¶meters, const String §ion_name)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
virtual bool extractSection(Parameters ¶meters, const String §ion_name)
StringHashMap< vector< Data > > torsions_
HashSet< String > all_torsions_
BALL_EXPORT bool operator==(const String &s1, const String &s2)
bool assignTorsion(const String &name, Position i, Data &torsion) const
Size getNumberOfResidueTorsions(const String &residue_name) const
bool hasTorsion(const String &residue, const String &atom_A, const String &atom_B, const String &atom_C, const String &atom_D) const
Data(const String &name, const String &A, const String &B, const String &C, const String &D)
virtual ~ResidueTorsions()