Module: Chem::Type::GSpanType

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

Class Method Summary collapse

Class Method Details

.detect_file(file) ⇒ Object 



8
9
10
 
# File 'lib/chem/db/types/type_gspan.rb', line 8

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

.detect_type(type) ⇒ Object 



18
19
20
 
# File 'lib/chem/db/types/type_gspan.rb', line 18

def self.detect_type type
  type == :gspan
end

.parse(file) ⇒ Object 



12
13
14
15
16
 
# File 'lib/chem/db/types/type_gspan.rb', line 12

def self.parse file
  # autoloaded
  # require 'chem/db/gspan.rb'
  Chem.parse_gspan(file)
end

.save(mol, filename, params = {}) ⇒ Object 



22
23
24
25
 
# File 'lib/chem/db/types/type_gspan.rb', line 22

def self.save mol, filename, params = {}
  #      require 'chem/db/gspan.rb'
  Chem::GSpan.save(mol, filename, params)
end