parameters: (conf, featAtoms, scale=1.5)
return_statement: return ((cpt, v1), ), 'cone'
docstring: Get the direction vectors for Donor of type 1
  
    This is a donor with one heavy atom. It is not clear where we should we should be putting the
    direction vector for this. It should probably be a cone. In this case we will just use the
    direction vector from the donor atom to the heavy atom
      
    ARGUMENTS:
      
      featAtoms - list of atoms that are part of the feature
      scale - length of the direction vector
docstring_summary: Get the direction vectors for Donor of type 1
docstring_tokens: Get the direction vectors for Donor of type 1
function: def GetDonor1FeatVects(conf, featAtoms, scale=1.5):
    """
    Get the direction vectors for Donor of type 1
  
    This is a donor with one heavy atom. It is not clear where we should we should be putting the
    direction vector for this. It should probably be a cone. In this case we will just use the
    direction vector from the donor atom to the heavy atom
      
    ARGUMENTS:
      
      featAtoms - list of atoms that are part of the feature
      scale - length of the direction vector
    """
    assert len(featAtoms) == 1
    aid = featAtoms[0]
    mol = conf.GetOwningMol()
    nbrs = mol.GetAtomWithIdx(aid).GetNeighbors()
  
    # find the neighboring heavy atom
    hnbr = -1
    for nbr in nbrs:
      if nbr.GetAtomicNum() != 1:
        hnbr = nbr.GetIdx()
        break
  
    cpt = conf.GetAtomPosition(aid)
    v1 = conf.GetAtomPosition(hnbr)
    v1 -= cpt
    v1.Normalize()
    v1 *= (-1.0 * scale)
    v1 += cpt
    return ((cpt, v1), ), 'cone'
function_tokens: def GetDonor1FeatVects ( conf , featAtoms , scale = 1.5 ) : assert len ( featAtoms ) == 1 aid = featAtoms [ 0 ] mol = conf . GetOwningMol ( ) nbrs = mol . GetAtomWithIdx ( aid ) . GetNeighbors ( ) # find the neighboring heavy atom hnbr = - 1 for nbr in nbrs : if nbr . GetAtomicNum ( ) != 1 : hnbr = nbr . GetIdx ( ) break cpt = conf . GetAtomPosition ( aid ) v1 = conf . GetAtomPosition ( hnbr ) v1 -= cpt v1 . Normalize ( ) v1 *= ( - 1.0 * scale ) v1 += cpt return ( ( cpt , v1 ) , ) , 'cone'