Module: Chem::Type::SybylType

Defined in:
lib/chem/db/types/type_sybyl.rb

Class Method Summary collapse

Class Method Details

.detect_file(file) ⇒ Object 



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# File 'lib/chem/db/types/type_sybyl.rb', line 8

def self.detect_file file
  File.extname(file) == '.mol2'
end

.detect_type(type) ⇒ Object 



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# File 'lib/chem/db/types/type_sybyl.rb', line 17

def self.detect_type type
  type == :sybyl
end

.parse(file) ⇒ Object 



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# File 'lib/chem/db/types/type_sybyl.rb', line 12

def self.parse file
  require 'chem/db/sybyl'
  mol = Chem::Sybyl::SybylMolecule.new file
end

.save(mol, filename) ⇒ Object 



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# File 'lib/chem/db/types/type_sybyl.rb', line 21

def self.save mol, filename
  mol.save_as_mdl(filename)
end