from pyPot import PyPot

class customPot(PyPot):
    def __init__(self, name,esim, RDCpot, noePot):
        PyPot.__init__(self,name)
        return
    def calcEnergy(self):
        return 0
    def calcEnergyAndDerivs(self,derivs):
        energy = self.calcEnergy()
        #in this we loop through the RDC pot terms and find the best fit saupe matrix from esim [atomic positions] and RDCpot.
        # the best fit Saupe matrix is converted into XPLOR's alignment tensor using varTensorTools.saupeToVarTensor
        # and the obtained alignement tensor's properties are used to assign the existing RDCpots tensor properties.
        return energy