virtual int calculateDihedralTypeId(int index) const =0
Return the dihedral type id for a specific dihedral.
virtual int calculateAngleTypeId(int index) const =0
Return the angle type id for a specific angle.
Classes used by all simpatico molecular simulations.
virtual int calculateBondTypeId(int index) const =0
Return the bond type id for a specific bond.
int hasAngles_
Does this chain have angle potentials (0 = false, 1 = true).
Utility classes for scientific computation.
int hasDihedrals_
Does this chain have dihedral potentials (0 = false, 1 = true).
void buildLinear()
Build the chemical structure for a linear molecule.
virtual int calculateAtomTypeId(int index) const =0
Return the atom type id for a specific atom.
A Species represents a set of chemically similar molecules.
virtual ~Linear()
Destructor.
A Species of linear polymers (abstract).