Class: OpenTox::Algorithm::Descriptor

Inherits:
Object
  • Object
show all
Includes:
OpenTox, OpenTox::Algorithm
Defined in:
lib/algorithm.rb

Constant Summary

Constants included from OpenTox

OpenTox::AA

Instance Attribute Summary

Attributes included from OpenTox

#metadata, #parameters, #uri

Class Method Summary collapse

Methods included from OpenTox::Algorithm

#run

Methods included from OpenTox

#[], #[]=, #cancelled?, #code, #completed?, #create_rdf, #delete, #error?, #error_report, #get, included, #initialize, #parameter_value, #post, #put, #running?, #service_uri, #status, #to_html, #to_turtle

Class Method Details

.physchem_descriptor_valuesObject

returns array of “descriptor-values”, as CDK descriptors calculate serveral values, e.g., ALOGP produces ALOGP.ALogP, ALOGP.ALogp2, ALOGP.AMR


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# File 'lib/algorithm.rb', line 51

def self.physchem_descriptor_values
  RestClientWrapper.get(File.join(service_uri, "descriptor", "physchem", "list_values")).to_s.split("\n")
end

.physchem_descriptorsObject

returns a hash, keys: physchem descriptors, values: their description


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# File 'lib/algorithm.rb', line 46

def self.physchem_descriptors
  Hash[ RestClientWrapper.get(File.join(service_uri, "descriptor", "physchem", "list")).to_s.split("\n").collect{|l| l.split("\t")} ]
end