9 #ifndef BALL_MOLMEC_FORCEFIELDCOMPONENT_H 10 #define BALL_MOLMEC_FORCEFIELDCOMPONENT_H 16 #ifndef BALL_DATATYPE_STRING_H 20 #ifndef BALL_KERNEL_ATOM_H 76 throw(Exception::TooManyErrors);
94 void setName(const
String& name);
101 bool isEnabled()
const {
return enabled_;}
113 virtual double getEnergy()
const;
121 virtual double updateEnergy();
129 virtual void updateForces();
138 virtual void update()
142 double updateScore();
177 #endif // BALL_MOLMEC_FORCEFIELDCOMPONENT_H #define BALL_CREATE(name)
void setEnabled(bool state)
Exception to be thrown if too many errors occur, e.g. in ForceField.
-*- Mode: C++; tab-width: 2; -*-
ForceField * force_field_