Module: Mspire::Mass

Defined in:
lib/mspire/mass.rb,
lib/mspire/mass/aa.rb

Defined Under Namespace

Modules: AA

Constant Summary collapse

MONO_STR = 
{
  'h+' => 1.00727646677,
  'e' => 0.0005486,   # www.mikeblaber.org/oldwine/chm1045/notes/Atoms/.../Atoms03.htm
  'neutron' => 1.0086649156,
}
AVG_STR = 
{
  'h+' => 1.007276, # using Mascot_H_plus mass (is this right for AVG??)
  'e' => 0.0005486,
  'neutron' => 1.0086649156,
}
ELECTRON = 

      
        
NEUTRON =
          
        

        

      
        
H_PLUS =
          
        

        

      
    

  







  
    

      Class Method Summary
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Class Method Details


    
      

  

  
    .formula_to_exact_mass(formula)  ⇒ Object 
  

  

  




  

    

takes a molecular formula as a string, hash or MolecularFormula object and returns the exact mass.



  





  



  

    
      


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# File 'lib/mspire/mass.rb', line 9

def self.formula_to_exact_mass(formula)
  Mspire::MolecularFormula.from_any(formula).mass
end