ensemble_hic/forward_models.py
def _evaluate(self, structures, smooth_steepness, norm):
        """
        Evaluates the forward model, i.e., back-calculates contact
        data from a structure ensemble and other (nuisance) parameters

        :param structures: coordinates of structure ensemble
        :type structures: :class:`numpy.ndarray`

        :param smooth_steepness: determines the steepness of the smoothed
                                 contact function
        :type smooth_steepness: float

        :param norm: scaling parameter with which the sum
                     of single-structure contact matrices
                     is multiplied
        :type norm: float

        :returns: back-calculated contact frequency data
        :rtype: :class:`numpy.ndarray`
        """
        X = structures.reshape(self.n_structures, -1, 3)

        return ensemble_contacts_evaluate(X,
                                          norm,
                                          self['contact_distances'].value, 
                                          smooth_steepness,
                                          data_points=numpy.array(self.data_points,
                                                                  dtype=int))

        Evaluates the forward model, i.e., back-calculates contact
        data from a structure ensemble and other (nuisance) parameters

        :param structures: coordinates of structure ensemble
        :type structures: :class:`numpy.ndarray`

        :param smooth_steepness: determines the steepness of the smoothed
                                 contact function
        :type smooth_steepness: float

        :param norm: scaling parameter with which the sum
                     of single-structure contact matrices
                     is multiplied
        :type norm: float

        :returns: back-calculated contact frequency data
        :rtype: :class:`numpy.ndarray`
        
Evaluates the forward model, i.e., back-calculates contact
data from a structure ensemble and other (nuisance) parameters
Evaluates the forward model i . e . back - calculates contact data from a structure ensemble and other ( nuisance ) parameters
def _evaluate(self, structures, smooth_steepness, norm):
        X = structures.reshape(self.n_structures, -1, 3)
        return ensemble_contacts_evaluate(X,
                                          norm,
                                          self['contact_distances'].value, 
                                          smooth_steepness,
                                          data_points=numpy.array(self.data_points,
                                                                  dtype=int))
def _evaluate ( self , structures , smooth_steepness , norm ) : X = structures . reshape ( self . n_structures , - 1 , 3 ) return ensemble_contacts_evaluate ( X , norm , self [ 'contact_distances' ] . value , smooth_steepness , data_points = numpy . array ( self . data_points , dtype = int ) )
Evaluates the forward model, i.e., back-calculates contact
data from a structure ensemble and other (nuisance) parameters
Evaluates the forward model i . e . back - calculates contact data from a structure ensemble and other ( nuisance ) parameters
"""
        Evaluates the forward model, i.e., back-calculates contact
        data from a structure ensemble and other (nuisance) parameters

        :param structures: coordinates of structure ensemble
        :type structures: :class:`numpy.ndarray`

        :param smooth_steepness: determines the steepness of the smoothed
                                 contact function
        :type smooth_steepness: float

        :param norm: scaling parameter with which the sum
                     of single-structure contact matrices
                     is multiplied
        :type norm: float

        :returns: back-calculated contact frequency data
        :rtype: :class:`numpy.ndarray`
        """
back-calculated contact frequency data
back - calculated contact frequency data
:class:`numpy.ndarray`
self
structures
coordinates of structure ensemble
coordinates of structure ensemble
smooth_steepness
determines the steepness of the smoothed
contact function
determines the steepness of the smoothed contact function
norm
scaling parameter with which the sum
of single-structure contact matrices
is multiplied
scaling parameter with which the sum of single - structure contact matrices is multiplied