Sha256: a14fef578ac856b4d32648c1686dd1f0c61535978730d7b95c1627f50e1bdc02
Contents?: true
Size: 537 Bytes
Versions: 12
Compression:
Stored size: 537 Bytes
Contents
require 'openbabel'
module Rubabel
class Smarts
attr_accessor :ob
def initialize(string)
@string = string
@ob = OpenBabel::OBSmartsPattern.new
unless @ob.init(string)
raise ArgumentError, "#{string} not a valid SMARTS string"
end
end
def to_s
# would like to do the above, but just getting this:
# #<SWIG::TYPE_p_std__string:0x000000022ecd70
# @obsmarts.get_smarts.to_s
@string
end
def inspect
"<Rubabel::Smarts #{to_s}>"
end
end
end
Version data entries
12 entries across 12 versions & 1 rubygems