#include <iostream>
#include "templateMolecule.hh"
Functions | |
string | addStateConstraint (string original, string compName, string newConstraint) |
string | addBondConstraint (string original, string compName, int bondNumber) |
string addBondConstraint | ( | string | original, | |
string | compName, | |||
int | bondNumber | |||
) |
string addStateConstraint | ( | string | original, | |
string | compName, | |||
string | newConstraint | |||
) |