Index: calculator/build/lib/sans/sld_calculator/sldCalculator.py
===================================================================
--- calculator/build/lib/sans/sld_calculator/sldCalculator.py	(revision cfaf6d908f1f90339c5384c230411b256bc6c414)
+++ 	(revision )
@@ -1,105 +1,0 @@
-"""
-    This module intends to compute the neutron scattering length density of molecule
-    @author: Gervaise B. Alina
-"""
-
-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):
-    """
-        compute neutron SLD and related parameters
-    """
-    def __init__(self):
-        self.wavelength  = 6.0
-        self.coherence   = 0.0
-        self.absorption  = 0.0
-        self.incoherence = 0.0
-        self.sld_formula = None
-        self.volume = 0.0
-        self.density = None
-        self.length= 0.0
-        
-        
-    def setValue(self, user_formula, density, wavelength=6.0):
-        """
-            Store values of density and wavelength into the calculator 
-            and compute the volume
-        """
-        self.wavelength = wavelength
-        self.density    = float(density)
-        self.sld_formula = formula(str(user_formula), density= self.density)
-        print self.sld_formula.atoms
-        if self.density==0:
-            raise ZeroDivisionError,"integer division or modulo by zero for density"
-            return 
-        self.volume = (self.sld_formula.mass /self.density)/avogadro_number*1.0e24   
-        
-        
-    def calculateXRaySld(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 calculateNSld(self):
-        """
-            Compute the neutron SLD for a given molecule
-            @return absorp: absorption
-            @return coh: coherence cross section
-            @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
-        coh,absorp,inc = neutron_sld_from_atoms(atom,self.density,self.wavelength)
-        #Don't know if value is return in cm or  cm^(-1).assume return in cm
-        # to match result of neutron inc of Alan calculator
-        self.incoherence = inc*1/10
-        #Doesn't match result of Alan calculator for absorption factor of 2
-        #multiplication of 100 is going around
-        self.absorption = absorp*2*100
-        self.coherence  = coh
-        return self.coherence, self.absorption, self.incoherence
-    
-    
-    def calculateLength(self):
-        """
-            Compute the neutron 1/e length
-        """
-        self.length= (self.coherence+ self.absorption+ self.incoherence)/self.volume
-        return self.length
-        
-        
-    def calculateAbsorptionIm(self):
-        """
-            Compute imaginary part of the absorption 
-        """
-        atom = self.sld_formula.atoms 
-        #im: imaginary part of neutron SLD
-        im=0
-        for el, count in atom.iteritems():
-            if el.neutron.b_c_i !=None:
-                im += el.neutron.b_c_i*count 
-        if self.volume !=0:
-            im = im/self.volume
-        else:
-            raise ZeroDivisionError,"integer division or modulo by zero for volume"
-        return im
-        
Index: calculator/build/lib/sans/sld_calculator/sld_calculator.py
===================================================================
--- calculator/build/lib/sans/sld_calculator/sld_calculator.py	(revision cfaf6d908f1f90339c5384c230411b256bc6c414)
+++ 	(revision )
@@ -1,105 +1,0 @@
-"""
-    This module intends to compute the neutron scattering length density of molecule
-    @author: Gervaise B. Alina
-"""
-
-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):
-    """
-        compute neutron SLD and related parameters
-    """
-    def __init__(self):
-        self.wavelength  = 6.0
-        self.coherence   = 0.0
-        self.absorption  = 0.0
-        self.incoherence = 0.0
-        self.sld_formula = None
-        self.volume = 0.0
-        self.density = None
-        self.length= 0.0
-        
-        
-    def setValue(self, user_formula, density, wavelength=6.0):
-        """
-            Store values of density and wavelength into the calculator 
-            and compute the volume
-        """
-        self.wavelength = wavelength
-        self.density    = float(density)
-        self.sld_formula = formula(str(user_formula), density= self.density)
-        print self.sld_formula.atoms
-        if self.density==0:
-            raise ZeroDivisionError,"integer division or modulo by zero for density"
-            return 
-        self.volume = (self.sld_formula.mass /self.density)/avogadro_number*1.0e24   
-        
-        
-    def calculateXRaySld(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 calculateNSld(self):
-        """
-            Compute the neutron SLD for a given molecule
-            @return absorp: absorption
-            @return coh: coherence cross section
-            @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
-        coh,absorp,inc = neutron_sld_from_atoms(atom,self.density,self.wavelength)
-        #Don't know if value is return in cm or  cm^(-1).assume return in cm
-        # to match result of neutron inc of Alan calculator
-        self.incoherence = inc*1/10
-        #Doesn't match result of Alan calculator for absorption factor of 2
-        #multiplication of 100 is going around
-        self.absorption = absorp*2*100
-        self.coherence  = coh
-        return self.coherence, self.absorption, self.incoherence
-    
-    
-    def calculateLength(self):
-        """
-            Compute the neutron 1/e length
-        """
-        self.length= (self.coherence+ self.absorption+ self.incoherence)/self.volume
-        return self.length
-        
-        
-    def calculateAbsorptionIm(self):
-        """
-            Compute imaginary part of the absorption 
-        """
-        atom = self.sld_formula.atoms 
-        #im: imaginary part of neutron SLD
-        im=0
-        for el, count in atom.iteritems():
-            if el.neutron.b_c_i !=None:
-                im += el.neutron.b_c_i*count 
-        if self.volume !=0:
-            im = im/self.volume
-        else:
-            raise ZeroDivisionError,"integer division or modulo by zero for volume"
-        return im
-        
