class Ruspider::ChemSpider
ChemSpider
Ruby interface
Public Class Methods
new(token = '', header = {})
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# File lib/ruspider/chemspider.rb, line 17 def initialize(token = '', header = {}) @rest = RestClient.new(token, header) InchIAPI.instance_method(:initialize).bind(self).call(@rest) MassSpecAPI.instance_method(:initialize).bind(self).call(@rest) SpectraAPI.instance_method(:initialize).bind(self).call(@rest) end
Public Instance Methods
get_compound(csid)
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# File lib/ruspider/chemspider.rb, line 24 def get_compound(csid) Compound.new(csid, self) end
get_compound_spectra(csid)
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# File lib/ruspider/chemspider.rb, line 40 def get_compound_spectra(csid) get_spectra_info_list([csid]).map do |x| Spectrum.from_info_dict(x, self) end end
get_compounds(csids)
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# File lib/ruspider/chemspider.rb, line 28 def get_compounds(csids) csids.map { |x| Compound.new(x, self) } end
get_spectra(spectrum_ids)
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# File lib/ruspider/chemspider.rb, line 36 def get_spectra(spectrum_ids) spectrum_ids.map { |x| Spectrum.new(x, self) } end
get_spectrum(spectrum_id)
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# File lib/ruspider/chemspider.rb, line 32 def get_spectrum(spectrum_id) Spectrum.new(spectrum_id, self) end