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 88 virtual void clear() ;
103 virtual bool extractSection(
Parameters& parameters,
const String& section_name);
107 Size getNumberOfResidueTorsions(
const String& residue_name)
const;
141 #endif // BALL_MOLMEC_PARAMETER_RESIDUETORSIONS_H
Data(const String &name, const String &A, const String &B, const String &C, const String &D)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
-*- Mode: C++; tab-width: 2; -*-
StringHashMap< vector< Data > > torsions_
HashSet< String > all_torsions_