Module: Mspire::Isotope::Distribution
- Defined in:
- lib/mspire/isotope/distribution.rb,
lib/mspire/isotope/distribution.rb
Constant Summary collapse
- NORMALIZE =
:total
Class Method Summary collapse
- .calculate(molecular_formula_like, *args) ⇒ Object
- .spectrum(molecular_formula_like, *args) ⇒ Object
- .to_mf(obj) ⇒ Object
Class Method Details
.calculate(molecular_formula_like, *args) ⇒ Object
125 126 127 128 |
# File 'lib/mspire/isotope/distribution.rb', line 125 def calculate(molecular_formula_like, *args) mf = to_mf(molecular_formula_like) mf.isotope_distribution(*args) end |
.spectrum(molecular_formula_like, *args) ⇒ Object
130 131 132 133 |
# File 'lib/mspire/isotope/distribution.rb', line 130 def spectrum(molecular_formula_like, *args) mf = to_mf(molecular_formula_like) mf.isotope_distribution_spectrum(*args) end |
.to_mf(obj) ⇒ Object
121 122 123 |
# File 'lib/mspire/isotope/distribution.rb', line 121 def to_mf(obj) obj.is_a?(Mspire::MolecularFormula) ? obj : Mspire::MolecularFormula.from_any(obj) end |