Class: RubyChem::Compound

Inherits:
Object
  • Object
show all
Defined in:
lib/rubychem/comments.rb

Constant Summary collapse

MASSES = 
{ H: 1.01, He: 4.00, Li: 6.94, Be: 9.01, B: 10.81, C: 12.01, N: 14.01, F: 19.00, Ne: 20.18, S: 32.01, O: 15.99, 
Na: 22.99, Mg: 24.31, Al: 26.98, Si: 28.09, P: 30.97, Cl: 35.45, Ar: 39.95, K: 39.1, Ca: 40.08, Sc: 44.96, Ti: 47.88, V: 50.94,
Cr: 52.00, Mn: 54.94, Fe: 55.85, Co: 58.93, Ni: 58.69, Cu: 63.55, Zn: 65.39, Ga: 69.72, Ge: 72.61, As: 74.92, Se: 78.96, 
Br: 79.90, Kr: 83.80, Rb: 85.47, Sr: 87.62, Y: 88.91, Zr: 91.22, Nb: 92.91, Mo: 95.94, Te: 98, Ru: 101.07, Rh: 102.91, 
Pd: 106.42, Ag: 107.87, Cd: 112.41, In: 114.82, Sn: 118.71, Sb: 121.76, Te: 127.6, I: 126.9, Xe: 131.29, Cs: 132.9, Ba: 137.3, 
La: 138.9, Hf: 178.5, Ta: 180.9, W: 183.9, Re: 186.2, Os: 190.2, Ir:  192.2, Pt: 195.1, Au: 197.0, Hg: 200.6, Ti: 204.4, 
Pb: 207.2, Bi: 209, Po: 209, At: 210, Rn: 222, Fr: 223, Ra: 226, Ac: 227, Rf: 261, Db: 262, Sg: 263, Bh: 264, Hs: 265,
Mt: 268, Ds: 271, Rg: 272 }

Instance Attribute Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(formula) ⇒ Compound

Returns a new instance of Compound.



15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
 
# File 'lib/rubychem/comments.rb', line 15

def initialize(formula)
# Checks if the last element is monatomic; adds '1' if it is.
# This is a comparison, true or false, is there no trailing digit?
# the scan method is used to iterate through text, scan accepts 1 argument, 
# in this case "match any digit \d, Match one or more occurrences of the preceding character +,
# anchor for the end of line $"
 if formula.scan(/\d+$/) == []
# if there is no digit, .gsub adds the trailing digit, 1)     
  
# This method scans for the range [A-za-z] and any digit \d, Matching one or more 
# occurrences of the preceding character +
# so H2SO4 => ["H2, "SO4""]    
   x = formula.gsub(/$/, '1').scan(/[A-za-z]*\d+/)
# Calls the speciate private method, passes the variable x as the argument     
   speciate(x)
  else      
   x = formula.scan(/[A-za-z]*\d+/)
   speciate(x)
  end
end

Instance Attribute Details

#chem_species ⇒ Object

Returns the value of attribute chem_species.



13
14
15
 
# File 'lib/rubychem/comments.rb', line 13

def chem_species
  @chem_species
end

#fw ⇒ Object

Calculates the molecular mass.



39
40
41
 
# File 'lib/rubychem/comments.rb', line 39

def fw
  @fw
end

#mm ⇒ Object

Returns the value of attribute mm.



13
14
15
 
# File 'lib/rubychem/comments.rb', line 13

def mm
  @mm
end