mddb 0.0.1

data/spec/atom_spec.rb

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+require 'spec_helper'
+
+describe Mddb::Atom do
+  it "should be instantiatable" do
+    lambda {Mddb::Atom.new}.should_not raise_error
+  end
+
+end

data/spec/oxygen_spec.rb

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+require 'spec_helper'
+
+describe "Atoms"  do
+  class Oxygen < Mddb::Atom
+#    include Mddb::Calculations
+    calculations :fun, :bad, :ok
+  end
+
+  it "should have 3 calculations" do
+    Oxygen.list_calculations.should == %W(calc_fun calc_bad calc_ok)
+  end
+end

data/spec/spec_helper.rb

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+require 'rubygems'
+require 'rspec/autorun'
+RSpec.configure do |config|
+  config.before(:suite) do
+    ARGV.push '-v'
+  end
+end
+require 'mddb'

metadata

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+--- !ruby/object:Gem::Specification
+name: mddb
+version: !ruby/object:Gem::Version
+  version: 0.0.1
+  prerelease: 
+platform: ruby
+authors:
+- Thomas Mulvaney
+autorequire: 
+bindir: bin
+cert_chain: []
+date: 2012-01-11 00:00:00.000000000Z
+dependencies:
+- !ruby/object:Gem::Dependency
+  name: rspec
+  requirement: &70196309243000 !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: '0'
+  type: :development
+  prerelease: false
+  version_requirements: *70196309243000
+- !ruby/object:Gem::Dependency
+  name: mongo_mapper
+  requirement: &70196309242480 !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: '0'
+  type: :runtime
+  prerelease: false
+  version_requirements: *70196309242480
+- !ruby/object:Gem::Dependency
+  name: hirb
+  requirement: &70196309241960 !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: '0'
+  type: :runtime
+  prerelease: false
+  version_requirements: *70196309241960
+- !ruby/object:Gem::Dependency
+  name: thor
+  requirement: &70196309241300 !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: '0'
+  type: :runtime
+  prerelease: false
+  version_requirements: *70196309241300
+description: MDDB makes analysing molecular dynamics simulations easy
+email:
+- thom.mulvaney@gmail.com
+executables:
+- mddb
+extensions: []
+extra_rdoc_files: []
+files:
+- .gitignore
+- Gemfile
+- Rakefile
+- bin/mddb
+- config.yml
+- lib/mddb.rb
+- lib/mddb/atom.rb
+- lib/mddb/calculations.rb
+- lib/mddb/cli.rb
+- lib/mddb/commands/console.rb
+- lib/mddb/commands/load.rb
+- lib/mddb/commands/new.rb
+- lib/mddb/config.rb
+- lib/mddb/frame.rb
+- lib/mddb/generators.rb
+- lib/mddb/generators/atom.rb
+- lib/mddb/generators/molecule.rb
+- lib/mddb/molecule.rb
+- lib/mddb/parser.rb
+- lib/mddb/point.rb
+- lib/mddb/sphere.rb
+- lib/mddb/templates/README.tt
+- lib/mddb/templates/atom.rb.tt
+- lib/mddb/templates/config.yml.tt
+- lib/mddb/templates/frame.rb.tt
+- lib/mddb/templates/molecule.rb.tt
+- lib/mddb/templates/spec/atom_spec.rb.tt
+- lib/mddb/templates/spec/molecule_spec.rb.tt
+- lib/mddb/vector.rb
+- lib/mddb/version.rb
+- mddb.gemspec
+- quick.xyz
+- spec/atom_spec.rb
+- spec/oxygen_spec.rb
+- spec/spec_helper.rb
+homepage: ''
+licenses: []
+post_install_message: 
+rdoc_options: []
+require_paths:
+- lib
+required_ruby_version: !ruby/object:Gem::Requirement
+  none: false
+  requirements:
+  - - ! '>='
+    - !ruby/object:Gem::Version
+      version: '0'
+required_rubygems_version: !ruby/object:Gem::Requirement
+  none: false
+  requirements:
+  - - ! '>='
+    - !ruby/object:Gem::Version
+      version: '0'
+requirements: []
+rubyforge_project: mddb
+rubygems_version: 1.8.10
+signing_key: 
+specification_version: 3
+summary: MDDB molecular database and framework
+test_files:
+- spec/atom_spec.rb
+- spec/oxygen_spec.rb
+- spec/spec_helper.rb