Module: Chem::Type::MdlMolType
- Defined in:
- lib/chem/db/types/type_mdl.rb
Class Method Summary collapse
- .detect_file(file) ⇒ Object
- .detect_type(type) ⇒ Object
- .parse(file) ⇒ Object
- .save(mol, filename, params = {}) ⇒ Object
Class Method Details
.detect_file(file) ⇒ Object
7 8 9 |
# File 'lib/chem/db/types/type_mdl.rb', line 7 def self.detect_file file File.extname(file) == '.mol' end |
.detect_type(type) ⇒ Object
18 19 20 |
# File 'lib/chem/db/types/type_mdl.rb', line 18 def self.detect_type type type == :mdl end |
.parse(file) ⇒ Object
11 12 13 14 15 16 |
# File 'lib/chem/db/types/type_mdl.rb', line 11 def self.parse file # autloaded require 'chem/db/mdl.rb' mol = Chem::MDL::MdlMolecule.new mol.open file end |
.save(mol, filename, params = {}) ⇒ Object
22 23 24 25 |
# File 'lib/chem/db/types/type_mdl.rb', line 22 def self.save mol, filename, params = {} require 'chem/db/mdl.rb' mol.save_as_mdl(filename) end |