Module: Sylfy::Service::LipidMap

Defined in:
lib/sylfy/service/lipidmaprest.rb

Defined Under Namespace

Modules: REST

Class Method Summary collapse

Class Method Details

.idbyinchi(inchi) ⇒ Object

Method for setting inchi data member

Parameters:

id

LipidMap id to search

:id, :dataPrimarySource, :xrefs, :relations :inchi, :formula, :smiles, :inchiKey :names



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# File 'lib/sylfy/service/lipidmaprest.rb', line 205

def idbyinchi(inchi)
  result = []
  if inchi =~ Sylfy::Pattern::INCHI
    smile = Rubabel[inchi, :inchi].to_s(:smi)
    REST::lmsdStrSearch(smile, 'SMILESString').each {|e| result.push(e["LM_ID"])} if smile != nil
  else
    raise Sylfy::Service::ParameterError, "#{inchi} is not InChI."
  end
  return result
end