Index: calculator/sld_calculator.py
===================================================================
--- calculator/sld_calculator.py	(revision edb3a5d0510cc6410116e5b3f252b0d227f96fe5)
+++ 	(revision )
@@ -1,107 +1,0 @@
-"""
-This module intends to compute the neutron scattering length density 
-of a molecule.It uses methods of the periodictable package to provide 
-easy user interface for  Sld calculator applications.
-"""
-
-import periodictable
-from periodictable import formula
-from periodictable.xsf import xray_energy, xray_sld_from_atoms
-from periodictable.constants import avogadro_number
-import periodictable.nsf
-neutron_sld_from_atoms = periodictable.nsf.neutron_sld_from_atoms 
-
-class SldCalculator(object):
-    """
-    Given a molecule, a density and a wavelength, this class 
-    determine scattering length density.
-    
-    Example: To get the sld value and the length 1/e the following 
-    methods need to be called in this later order::
-             formula = "H2O"
-             density = 1.0
-             wavelength = 6.0
-             sld_calculator = SldCalculator()
-             sld_calculator.set_value(formula, density, wavelength) 
-             sld_real, sld_im, _ = sld_calculator.calculate_neutron_sld()
-             result : sld = sld_real +i sld_im
-             
-    Note: **set_value()** and **calculate_neutron_sld()** methods must
-    be called in this order prior calling **calculate_length()** to get 
-    the proper result.
-    """
-    def __init__(self):
-        #Private variable
-        self._volume = 0.0
-        #Inputs
-        self.wavelength  = 6.0
-        self.sld_formula = ""
-        self.density = None
-        #Outputs
-        self.sld_real = None
-        self.sld_im = None
-        self.coherence   = 0.0
-        self.absorption  = 0.0
-        self.incoherence = 0.0
-        self.length = 0.0
-        
-    def set_value(self, user_formula, density, wavelength=6.0):
-        """
-        Store values into the sld calculator and compute the corresponding
-        volume.
-        """
-        self.wavelength = wavelength
-        self.density    = float(density)
-        self.sld_formula = formula(str(user_formula), density=self.density)
-       
-        if self.density == 0:
-            raise ZeroDivisionError("integer division or modulo\
-                         by zero for density")
-        self._volume = (self.sld_formula.mass / self.density) / avogadro_number\
-                                *1.0e24   
-        
-        
-    def calculate_xray_sld(self, element):
-        """
-        Get an element and compute the corresponding SLD for a given formula
-        @param element:  elementis a string of existing atom
-        """
-        myformula = formula(str(element))
-        if len(myformula.atoms) != 1:
-            return 
-        element = myformula.atoms.keys()[0] 
-        energy = xray_energy(element.K_alpha)
-        atom = self.sld_formula.atoms
-        atom_reel, atom_im = xray_sld_from_atoms(atom,
-                                              density= self.density,
-                                              energy= energy)
-        return atom_reel, atom_im
-      
-        
-    def calculate_neutron_sld(self):
-        """
-        Compute the neutron SLD for a given molecule
-        @return sld_real : real part of the sld value
-        @return sld_im: imaginary part of the sld value
-        @return inc: incoherence cross section
-        """
-        if self.density == 0:
-            raise ZeroDivisionError("integer division or modulo\
-                         by zero for density")
-            return 
-        atom = self.sld_formula.atoms
-        sld_real, sld_im, inc = neutron_sld_from_atoms(atom, self.density, 
-                                                  self.wavelength)
-        self.incoherence = inc
-        self.sld_real = sld_real
-        self.sld_im  = sld_im
-        return self.sld_real, self.sld_im, self.incoherence
-    
-    def calculate_length(self):
-        """
-        Compute the neutron 1/e length
-        """
-        self.length = (self.coherence + self.absorption +\
-                            self.incoherence) / self._volume
-        return self.length
-        
