y_petri 2.0.7 → 2.0.14.p1
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- checksums.yaml +4 -4
- data/lib/y_petri/net/selections.rb +209 -0
- data/lib/y_petri/net/visualization.rb +67 -0
- data/lib/y_petri/net.rb +33 -311
- data/lib/y_petri/place/guard.rb +20 -13
- data/lib/y_petri/place.rb +12 -7
- data/lib/y_petri/simulation.rb +8 -9
- data/lib/y_petri/transition/assignment.rb +37 -0
- data/lib/y_petri/transition/{constructor_syntax.rb → construction.rb} +1 -0
- data/lib/y_petri/transition/ordinary_timeless.rb +46 -0
- data/lib/y_petri/transition/timed.rb +57 -0
- data/lib/y_petri/transition.rb +103 -220
- data/lib/y_petri/version.rb +1 -1
- data/lib/y_petri.rb +1 -1
- data/test/acceptance/basic_usage_test.rb +30 -0
- data/test/acceptance/simulation_test.rb +132 -0
- data/test/acceptance/simulation_with_physical_units_test.rb +153 -0
- data/test/acceptance/token_game_test.rb +36 -0
- data/test/acceptance/visualization_test.rb +25 -0
- data/test/acceptance_tests.rb +14 -0
- data/test/manipulator_test.rb +100 -0
- data/test/{simple_manual_examples.rb → manual_examples.rb} +0 -0
- data/test/net_test.rb +171 -0
- data/test/place_test.rb +7 -6
- data/test/simulation_test.rb +280 -0
- data/test/timed_simulation_test.rb +149 -0
- data/test/transition_test.rb +2 -4
- data/test/workspace_test.rb +72 -0
- data/test/y_petri_test.rb +16 -1107
- metadata +34 -7
data/test/y_petri_test.rb
CHANGED
@@ -7,1114 +7,23 @@ require_relative '../lib/y_petri' # tested component itself
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# require 'y_petri'
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# require 'sy'
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# Test of Net class.
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# **************************************************************************
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#
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describe ::YPetri::Net do
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before do
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# skip "to speed up testing"
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@tç = tç = Class.new ::YPetri::Transition
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@pç = pç = Class.new ::YPetri::Place
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@nç = nç = Class.new ::YPetri::Net
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[ tç, pç, nç ].each { |ç|
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ç.namespace!.class_exec {
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define_method :Place do pç end
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define_method :Transition do tç end
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define_method :Net do nç end
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private :Place, :Transition, :Net
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}
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}
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@p1 = pç.new ɴ: "A", quantum: 0.1, marking: 1.1
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@p2 = pç.new ɴ: "B", quantum: 0.1, marking: 2.2
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@p3 = pç.new ɴ: "C", quantum: 0.1, marking: 3.3
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@net = nç.new
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[@p1, @p2, @p3].each { |p| @net.include_place! p }
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@p_not_included = pç.new ɴ: "X", marking: 0
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end
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describe "net of 3 places and no transitions" do
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before do
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@p1.m = 1.1
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@p2.m = 2.2
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@p3.m = 3.3
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end
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it "should expose its elements" do
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assert_equal [@p1, @p2, @p3], @net.places
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assert_equal [:A, :B, :C], @net.pp
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assert_equal [], @net.transitions
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end
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it "should expose transition groups" do
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assert_equal [], @net.transitions_with_rate
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assert_equal [], @net.rateless_transitions
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assert_equal [], @net.transitions_without_rate
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assert_equal [], @net.stoichiometric_transitions
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assert_equal [], @net.nonstoichiometric_transitions
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end
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it "should tell its qualities" do
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assert_equal true, @net.functional?
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assert_equal true, @net.timed?
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assert @net.include?( @p1 ) && !@net.include?( YPetri::Place.new )
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end
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it "should have 'standard equipment' methods" do
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assert @net == @net.dup
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assert @net.inspect.start_with? "#<Net:"
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assert @net.include?( @p1 )
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assert ! @net.include?( @p_not_included )
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begin
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@net.exclude_place! @p_not_included
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@net.include_transition! YPetri::Transition.new( s: { @p_not_included => -1 } )
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flunk "Attempt to include illegal transition fails to raise"
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rescue; end
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end
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describe "plus 1 stoichio. transition with rate" do
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before do
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@t1 = @tç.new!( ɴ: "T1",
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s: { @p1 => 1, @p2 => -1, @p3 => -1 },
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rate: 0.01 )
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@net.include_transition! @t1
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end
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it "should expose its elements" do
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assert_equal [@t1], @net.transitions
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assert_equal [:T1], @net.tt
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end
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it "should expose transition groups" do
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assert_equal true, @t1.has_rate?
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assert_equal [@t1], @net.transitions_with_rate
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assert_equal [], @net.rateless_transitions
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assert_equal [@t1], @net.stoichiometric_transitions
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assert_equal [], @net.nonstoichiometric_transitions
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end
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it "should tell its qualities" do
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assert_equal true, @net.functional?
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assert_equal true, @net.timed?
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assert @net.include?( @t1 )
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end
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it "should have #place & #transition for safe access to the said elements" do
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@net.send( :place, @p1 ).must_equal @p1
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@net.send( :transition, @t1 ).must_equal @t1
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end
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it "has #new_simulation & #new_timed_simulation constructors" do
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@net.must_respond_to :new_simulation
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@net.must_respond_to :new_timed_simulation
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end
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it "should have other methods" do
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assert_equal [1.1, 2.2, 3.3], [@p1, @p2, @p3].map( &:marking ).map{ |n| n.round 6 }
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assert_equal 2.2 * 3.3 * 0.01, @t1.rate_closure.call( @p2.marking, @p3.marking )
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assert_equal [ @p2, @p3 ], @t1.domain
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@t1.fire! 1
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assert_equal [1.1726, 2.1274, 3.2274], [@p1, @p2, @p3].map( &:marking ).map{ |n| n.round 6 }
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end
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describe "plus 1 more nameless timeless functionless transition" do
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before do
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@t2 = @tç.new s: { @p2 => -1, @p3 => 1 }
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@net.include_transition! @t2
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end
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it "should expose its elements" do
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assert_equal [@t1, @t2], @net.transitions
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assert_equal [:T1, nil], @net.tt
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@net.tap{ |n| n.exclude_transition! @t1 }.exclude_transition! @t2
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@net.tap{ |n| n.exclude_place! @p3 }.pp.must_equal [:A, :B]
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end
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it "should expose transition groups" do
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assert_equal [], @net.timeless_nonstoichiometric_transitions
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assert_equal [], @net.timeless_nonstoichiometric_tt
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assert_equal [@t2], @net.timeless_stoichiometric_transitions
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assert_equal [nil], @net.timeless_stoichiometric_tt
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assert_equal [], @net.timed_nonstoichiometric_transitions_without_rate
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assert_equal [], @net.timed_rateless_nonstoichiometric_transitions
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assert_equal [], @net.timed_nonstoichiometric_tt_without_rate
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assert_equal [], @net.timed_rateless_nonstoichiometric_tt
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assert_equal [], @net.timed_nonstoichiometric_transitions_without_rate
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assert_equal [], @net.timed_rateless_nonstoichiometric_transitions
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assert_equal [], @net.timed_nonstoichiometric_tt_without_rate
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assert_equal [], @net.timed_rateless_nonstoichiometric_tt
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assert_equal [], @net.nonstoichiometric_transitions_with_rate
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assert_equal [], @net.nonstoichiometric_tt_with_rate
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assert_equal [@t1], @net.stoichiometric_transitions_with_rate
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assert_equal [:T1], @net.stoichiometric_tt_with_rate
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assert_equal [], @net.assignment_transitions
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assert_equal [], @net.assignment_tt
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assert_equal [@t1, @t2], @net.stoichiometric_transitions
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assert_equal [:T1, nil], @net.stoichiometric_tt
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assert_equal [], @net.nonstoichiometric_transitions
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assert_equal [], @net.nonstoichiometric_tt
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assert_equal [@t1], @net.timed_transitions
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assert_equal [:T1], @net.timed_tt
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assert_equal [@t2], @net.timeless_transitions
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assert_equal [nil], @net.timeless_tt
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assert_equal [@t1], @net.transitions_with_rate
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assert_equal [:T1], @net.tt_with_rate
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assert_equal [@t2], @net.rateless_transitions
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assert_equal [nil], @net.rateless_tt
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end
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it "should tell its qualities" do
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assert_equal false, @net.functional?
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assert_equal false, @net.timed?
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@net.exclude_transition! @t2
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assert_equal true, @net.functional?
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assert_equal true, @net.timed?
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end
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end
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end
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end
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end
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# **************************************************************************
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# Test of Simulation class.
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# **************************************************************************
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#
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describe ::YPetri::Simulation do
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before do
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# skip "to make the testing faster"
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@pç = pç = Class.new( ::YPetri::Place )
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@tç = tç = Class.new( ::YPetri::Transition )
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@nç = nç = Class.new( ::YPetri::Net )
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[ @pç, @tç, @nç ].each { |klass|
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klass.namespace!.class_exec {
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private
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define_method :Place do pç end
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define_method :Transition do tç end
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define_method :Net do nç end
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}
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}
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@p1 = @pç.new name: "P1", default_marking: 1
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@p2 = @pç.new name: "P2", default_marking: 2
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@p3 = @pç.new name: "P3", default_marking: 3
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@p4 = @pç.new name: "P4", default_marking: 4
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@p5 = @pç.new name: "P5", default_marking: 5
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@t1 = @tç.new name: "T1",
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s: { @p1 => -1, @p2 => -1, @p4 => 1 },
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rate: 0.1
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@t2 = @tç.new name: "T2",
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s: { @p1 => -1, @p3 => 1 },
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rate: -> a { a * 0.5 }
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@t3 = @tç.new name: "T3",
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s: { @p1 => -1, @p2 => -1, @p4 => 1 },
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domain: @p3,
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rate: -> a { a * 0.5 }
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@net = @nç.new << @p1 << @p2 << @p3 << @p4 << @p5
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@net.include_transition! @t1
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@net.include_transition! @t2
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@net << @t3
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@s = YPetri::Simulation.new net: @net,
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marking_clamps: { @p1 => 2.0, @p5 => 2.0 },
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initial_marking: { @p2 => @p2.default_marking,
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@p3 => @p3.default_marking,
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@p4 => @p4.default_marking }
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end
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it "exposes the net" do
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@s.net.must_equal @net
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@s.net.places.size.must_equal 5
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@s.net.transitions.size.must_equal 3
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assert @net.include? @t1
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assert @s.net.include? @t1
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assert @net.include? @t2
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assert @s.net.include? @t2
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assert @net.include? @t3
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assert @s.net.include? @t3
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@s.net.transitions.size.must_equal 3
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end
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238
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it "exposes Petri net places" do
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@s.places.must_equal [ @p1, @p2, @p3, @p4, @p5 ]
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@s.pp.must_equal [ :P1, :P2, :P3, :P4, :P5 ]
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241
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@s.places( :pp ).must_equal( { @p1 => :P1, @p2 => :P2, @p3 => :P3,
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@p4 => :P4, @p5 => :P5 } )
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@s.pp( :pp ).must_equal( { P1: :P1, P2: :P2, P3: :P3, P4: :P4, P5: :P5 } )
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end
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it "exposes Petri net transitions" do
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@s.transitions.must_equal [ @t1, @t2, @t3 ]
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@s.tt.must_equal [ :T1, :T2, :T3 ]
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@s.transitions( :tt ).must_equal( { @t1 => :T1, @t2 => :T2, @t3 => :T3 } )
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@s.tt( :tt ).must_equal( { T1: :T1, T2: :T2, T3: :T3 } )
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end
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-
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253
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it "exposes place clamps" do
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@s.clamped_places( :place_clamps ).must_equal( { @p1 => 2, @p5 => 2 } )
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255
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@s.clamped_pp( :place_clamps ).must_equal( { P1: 2, P5: 2 } )
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end
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257
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258
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it "presents free places" do
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@s.free_places.must_equal [ @p2, @p3, @p4 ]
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@s.free_pp.must_equal [ :P2, :P3, :P4 ]
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@s.free_places( :free_pp )
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.must_equal( { @p2 => :P2, @p3 => :P3, @p4 => :P4 } )
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@s.free_pp( :free_pp )
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.must_equal( { P2: :P2, P3: :P3, P4: :P4 } )
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265
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end
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266
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267
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it "presents clamped places" do
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@s.clamped_places.must_equal [ @p1, @p5 ]
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@s.clamped_pp.must_equal [ :P1, :P5 ]
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270
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@s.clamped_places( :clamped_pp ).must_equal( { @p1 => :P1, @p5 => :P5 } )
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@s.clamped_pp( :clamped_pp ).must_equal( { P1: :P1, P5: :P5 } )
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272
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end
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273
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-
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274
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it "exposes initial marking" do
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275
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@s.free_places( :im ).must_equal( { @p2 => 2, @p3 => 3, @p4 => 4 } )
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276
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@s.free_pp( :im ).must_equal( { P2: 2, P3: 3, P4: 4 } )
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@s.im.must_equal [ 2, 3, 4 ]
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278
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@s.im_vector.must_equal Matrix[[2], [3], [4]]
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279
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@s.im_vector.must_equal @s.iᴍ
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280
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end
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281
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-
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282
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it "exposes marking (simulation state)" do
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283
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@s.m.must_equal [2, 3, 4] # (we're after reset)
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284
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@s.free_places( :m ).must_equal( { @p2 => 2, @p3 => 3, @p4 => 4 } )
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285
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@s.free_pp( :m ).must_equal( { P2: 2, P3: 3, P4: 4 } )
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286
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@s.ᴍ.must_equal Matrix[[2], [3], [4]]
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287
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end
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288
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-
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289
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it "separately exposes marking of clamped places" do
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290
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@s.m_clamped.must_equal [ 2, 2 ]
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291
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@s.clamped_places( :m_clamped ).must_equal( { @p1 => 2, @p5 => 2 } )
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292
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@s.clamped_pp( :m_clamped ).must_equal( { P1: 2, P5: 2 } )
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293
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@s.ᴍ_clamped.must_equal Matrix[[2], [2]]
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294
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-
end
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295
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-
|
296
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it "exposes marking of all places (with capitalized M)" do
|
297
|
-
@s.marking.must_equal [ 2, 2, 3, 4, 2 ]
|
298
|
-
@s.places( :marking )
|
299
|
-
.must_equal( { @p1 => 2, @p2 => 2, @p3 => 3, @p4 => 4, @p5 => 2 } )
|
300
|
-
@s.pp( :marking ).must_equal( { P1: 2, P2: 2, P3: 3, P4: 4, P5: 2 } )
|
301
|
-
@s.marking_vector.must_equal Matrix[[2], [2], [3], [4], [2]]
|
302
|
-
end
|
303
|
-
|
304
|
-
it "has #S_for / #stoichiometry_matrix_for" do
|
305
|
-
assert_equal Matrix.empty(3, 0), @s.S_for( [] )
|
306
|
-
assert_equal Matrix[[-1], [0], [1]], @s.S_for( [@t1] )
|
307
|
-
x = Matrix[[-1, -1], [0, 0], [1, 1]]
|
308
|
-
x.must_equal @s.S_for( [@t1, @t3] )
|
309
|
-
x.must_equal( @s.S_for( [@t1, @t3] ) )
|
310
|
-
@s.stoichiometry_matrix_for( [] ).must_equal Matrix.empty( 5, 0 )
|
311
|
-
end
|
312
|
-
|
313
|
-
it "has stoichiometry matrix for 3. tS transitions" do
|
314
|
-
@s.S_for_tS.must_equal Matrix.empty( 3, 0 )
|
315
|
-
end
|
316
|
-
|
317
|
-
it "has stoichiometry matrix for 4. Sr transitions" do
|
318
|
-
@s.S_for_TSr.must_equal Matrix.empty( 3, 0 )
|
319
|
-
end
|
320
|
-
|
321
|
-
it "has stoichiometry matrix for 6. SR transitions" do
|
322
|
-
@s.S_for_SR.must_equal Matrix[[-1, 0, -1], [0, 1, 0], [1, 0, 1]]
|
323
|
-
@s.S.must_equal @s.S_for_SR
|
324
|
-
end
|
325
|
-
|
326
|
-
it "presents 1. ts" do
|
327
|
-
assert_equal [], @s.ts_transitions
|
328
|
-
assert_equal( {}, @s.ts_transitions( :ts_transitions ) )
|
329
|
-
assert_equal [], @s.ts_tt
|
330
|
-
assert_equal( {}, @s.ts_tt( :ts_tt ) )
|
331
|
-
end
|
332
|
-
|
333
|
-
it "presents 2. tS transitions" do
|
334
|
-
assert_equal [], @s.tS_transitions
|
335
|
-
assert_equal( {}, @s.tS_transitions( :tS_transitions ) )
|
336
|
-
assert_equal [], @s.tS_tt
|
337
|
-
assert_equal( {}, @s.tS_tt( :tS_tt ) )
|
338
|
-
end
|
339
|
-
|
340
|
-
it "presents 3. Tsr transitions" do
|
341
|
-
assert_equal [], @s.Tsr_transitions
|
342
|
-
assert_equal( {}, @s.Tsr_transitions( :Tsr_transitions ) )
|
343
|
-
assert_equal [], @s.Tsr_tt
|
344
|
-
assert_equal( {}, @s.Tsr_tt( :Tsr_tt ) )
|
345
|
-
end
|
346
|
-
|
347
|
-
it "presents 4. TSr transitions" do
|
348
|
-
assert_equal [], @s.TSr_transitions
|
349
|
-
assert_equal( {}, @s.TSr_transitions( :TSr_tt ) )
|
350
|
-
assert_equal [], @s.TSr_tt
|
351
|
-
assert_equal( {}, @s.TSr_tt( :TSr_tt ) )
|
352
|
-
end
|
353
|
-
|
354
|
-
it "presents 5. sR transitions" do
|
355
|
-
assert_equal [], @s.sR_transitions
|
356
|
-
assert_equal( {}, @s.sR_transitions( :sR_transitions ) )
|
357
|
-
assert_equal [], @s.sR_tt
|
358
|
-
assert_equal( {}, @s.sR_tt( :sR_tt ) )
|
359
|
-
end
|
360
|
-
|
361
|
-
it "presents SR transitions" do
|
362
|
-
assert_equal [@t1, @t2, @t3], @s.SR_transitions
|
363
|
-
assert_equal( { @t1 => :T1, @t2 => :T2, @t3 => :T3 },
|
364
|
-
@s.SR_transitions( :SR_tt ) )
|
365
|
-
assert_equal [:T1, :T2, :T3], @s.SR_tt
|
366
|
-
assert_equal( { T1: :T1, T2: :T2, T3: :T3 }, @s.SR_tt( :SR_tt ) )
|
367
|
-
end
|
368
|
-
|
369
|
-
it "presents A transitions" do
|
370
|
-
assert_equal [], @s.A_transitions
|
371
|
-
assert_equal( {}, @s.A_transitions( :A_tt ) )
|
372
|
-
assert_equal [], @s.A_tt
|
373
|
-
assert_equal( {}, @s.A_tt( :A_tt ) )
|
374
|
-
end
|
375
|
-
|
376
|
-
it "presents S transitions" do
|
377
|
-
assert_equal [@t1, @t2, @t3], @s.S_transitions
|
378
|
-
assert_equal [:T1, :T2, :T3], @s.S_tt
|
379
|
-
assert_equal( { T1: :T1, T2: :T2, T3: :T3 }, @s.S_tt( :S_tt ) )
|
380
|
-
end
|
381
|
-
|
382
|
-
it "presents s transitions" do
|
383
|
-
assert_equal [], @s.s_transitions
|
384
|
-
assert_equal [], @s.s_tt
|
385
|
-
assert_equal( {}, @s.s_tt( :s_tt ) )
|
386
|
-
end
|
387
|
-
|
388
|
-
it "presents R transitions" do
|
389
|
-
assert_equal [@t1, @t2, @t3], @s.R_transitions
|
390
|
-
assert_equal [:T1, :T2, :T3], @s.R_tt
|
391
|
-
assert_equal( { T1: :T1, T2: :T2, T3: :T3 }, @s.R_tt( :R_tt ) )
|
392
|
-
end
|
393
|
-
|
394
|
-
it "presents r transitions" do
|
395
|
-
assert_equal [], @s.r_transitions
|
396
|
-
assert_equal [], @s.r_tt
|
397
|
-
end
|
398
|
-
|
399
|
-
it "1. handles ts transitions" do
|
400
|
-
@s.Δ_closures_for_tsa.must_equal []
|
401
|
-
@s.Δ_if_tsa_fire_once.must_equal Matrix.zero( @s.free_pp.size, 1 )
|
402
|
-
end
|
403
|
-
|
404
|
-
it "2. handles Tsr transitions" do
|
405
|
-
@s.Δ_closures_for_Tsr.must_equal []
|
406
|
-
@s.Δ_for_Tsr( 1.0 ).must_equal Matrix.zero( @s.free_pp.size, 1 )
|
407
|
-
end
|
408
|
-
|
409
|
-
it "3. handles tS transitions" do
|
410
|
-
@s.action_closures_for_tS.must_equal []
|
411
|
-
@s.action_vector_for_tS.must_equal Matrix.column_vector( [] )
|
412
|
-
@s.α_for_t.must_equal Matrix.column_vector( [] )
|
413
|
-
@s.Δ_if_tS_fire_once.must_equal Matrix.zero( @s.free_pp.size, 1 )
|
414
|
-
end
|
415
|
-
|
416
|
-
it "4. handles TSr transitions" do
|
417
|
-
@s.action_closures_for_TSr.must_equal []
|
418
|
-
@s.action_closures_for_Tr.must_equal []
|
419
|
-
@s.action_vector_for_TSr( 1.0 ).must_equal Matrix.column_vector( [] )
|
420
|
-
@s.action_vector_for_Tr( 1.0 ).must_equal Matrix.column_vector( [] )
|
421
|
-
@s.Δ_for_TSr( 1.0 ).must_equal Matrix.zero( @s.free_pp.size, 1 )
|
422
|
-
end
|
423
|
-
|
424
|
-
it "5. handles sR transitions" do
|
425
|
-
assert_equal [], @s.rate_closures_for_sR
|
426
|
-
assert_equal [], @s.rate_closures_for_s
|
427
|
-
# @s.gradient_for_sR.must_equal Matrix.zero( @s.free_pp.size, 1 )
|
428
|
-
@s.Δ_Euler_for_sR( 1.0 ).must_equal Matrix.zero( @s.free_pp.size, 1 )
|
429
|
-
end
|
430
|
-
|
431
|
-
it "6. handles stoichiometric transitions with rate" do
|
432
|
-
@s.rate_closures_for_SR.size.must_equal 3
|
433
|
-
@s.rate_closures_for_S.size.must_equal 3
|
434
|
-
@s.rate_closures.size.must_equal 3
|
435
|
-
@s.flux_vector_for_SR.must_equal Matrix.column_vector( [ 0.4, 1.0, 1.5 ] )
|
436
|
-
@s.φ_for_SR.must_equal @s.flux_vector
|
437
|
-
@s.SR_tt( :φ_for_SR ).must_equal( { T1: 0.4, T2: 1.0, T3: 1.5 } )
|
438
|
-
@s.Euler_action_vector_for_SR( 1 )
|
439
|
-
.must_equal Matrix.column_vector [ 0.4, 1.0, 1.5 ]
|
440
|
-
@s.SR_tt( :Euler_action_for_SR, 1 ).must_equal( T1: 0.4, T2: 1.0, T3: 1.5 )
|
441
|
-
@s.Δ_Euler_for_SR( 1 ).must_equal Matrix[[-1.9], [1.0], [1.9]]
|
442
|
-
@s.free_pp( :Δ_Euler_for_SR, 1 ).must_equal( { P2: -1.9, P3: 1.0, P4: 1.9 } )
|
443
|
-
end
|
444
|
-
|
445
|
-
it "presents sparse stoichiometry vectors for its transitions" do
|
446
|
-
@s.sparse_σ( @t1 ).must_equal Matrix.cv( [-1, 0, 1] )
|
447
|
-
@s.sparse_stoichiometry_vector( @t1 )
|
448
|
-
.must_equal Matrix.cv( [-1, -1, 0, 1, 0] )
|
449
|
-
end
|
450
|
-
|
451
|
-
it "presents correspondence matrices free, clamped => all places" do
|
452
|
-
@s.F2A.must_equal Matrix[[0, 0, 0], [1, 0, 0], [0, 1, 0],
|
453
|
-
[0, 0, 1], [0, 0, 0]]
|
454
|
-
@s.C2A.must_equal Matrix[[1, 0], [0, 0], [0, 0], [0, 0], [0, 1]]
|
455
|
-
end
|
456
|
-
end
|
457
|
-
|
458
|
-
|
459
|
-
# **************************************************************************
|
460
|
-
# Test of TimedSimulation class.
|
461
|
-
# **************************************************************************
|
462
|
-
#
|
463
|
-
describe ::YPetri::TimedSimulation do
|
464
|
-
before do
|
465
|
-
# skip "to speed up testing"
|
466
|
-
@a = ::YPetri::Place.new default_marking: 1.0
|
467
|
-
@b = ::YPetri::Place.new default_marking: 2.0
|
468
|
-
@c = ::YPetri::Place.new default_marking: 3.0
|
469
|
-
end
|
470
|
-
|
471
|
-
describe "timed assembly a + b >> c" do
|
472
|
-
before do
|
473
|
-
@t1 = ::YPetri::Transition.new s: { @a => -1, @b => -1, @c => 1 }, rate: 0.1
|
474
|
-
@net = ::YPetri::Net.new << @a << @b << @c << @t1
|
475
|
-
@im_collection = [@a, @b, @c].τBmχHτ &:default_marking
|
476
|
-
end
|
477
|
-
|
478
|
-
describe "simulation with step size 1" do
|
479
|
-
before do
|
480
|
-
@sim = ::YPetri::TimedSimulation.new net: @net,
|
481
|
-
initial_marking: @im_collection,
|
482
|
-
step: 1,
|
483
|
-
sampling: 10,
|
484
|
-
target_time: 100
|
485
|
-
end
|
486
|
-
|
487
|
-
it "should #step! with expected results" do
|
488
|
-
m = @sim.step!.marking
|
489
|
-
assert_in_delta 0.8, m[ 0 ], 1e-9
|
490
|
-
assert_in_delta 1.8, m[ 1 ], 1e-9
|
491
|
-
assert_in_delta 3.2, m[ 2 ], 1e-9
|
492
|
-
end
|
493
|
-
|
494
|
-
it "should behave" do
|
495
|
-
assert_in_delta 0, ( Matrix.column_vector( [-0.02, -0.02, 0.02] ) -
|
496
|
-
@sim.ΔE( 0.1 ) ).column( 0 ).norm, 1e-9
|
497
|
-
@sim.step! 0.1
|
498
|
-
assert_in_delta 0, ( Matrix.column_vector( [0.98, 1.98, 3.02] ) -
|
499
|
-
@sim.marking_vector ).column( 0 ).norm, 1e-9
|
500
|
-
|
501
|
-
end
|
502
|
-
end
|
503
|
-
|
504
|
-
describe "simulation with step size 0.1" do
|
505
|
-
before do
|
506
|
-
@sim = ::YPetri::TimedSimulation.new net: @net,
|
507
|
-
initial_marking: @im_collection,
|
508
|
-
step: 0.1,
|
509
|
-
sampling: 10,
|
510
|
-
target_time: 100
|
511
|
-
end
|
512
|
-
|
513
|
-
it "should behave" do
|
514
|
-
m = @sim.step!.marking
|
515
|
-
assert_equal 10, @sim.sampling_period
|
516
|
-
assert_in_delta 0.98, m[ 0 ], 1e-9
|
517
|
-
assert_in_delta 1.98, m[ 1 ], 1e-9
|
518
|
-
assert_in_delta 3.02, m[ 2 ], 1e-9
|
519
|
-
end
|
520
|
-
|
521
|
-
it "should behave" do
|
522
|
-
@sim.run_until_target_time! 31
|
523
|
-
expected_recording = {
|
524
|
-
0 => [ 1, 2, 3 ],
|
525
|
-
10 => [ 0.22265, 1.22265, 3.77735 ],
|
526
|
-
20 => [ 0.07131, 1.07131, 3.92869 ],
|
527
|
-
30 => [ 0.02496, 1.02496, 3.97503 ]
|
528
|
-
}
|
529
|
-
assert_equal expected_recording.keys, @sim.recording.keys
|
530
|
-
assert_in_delta 0, expected_recording.values.zip( @sim.recording.values )
|
531
|
-
.map{ |expected, actual| ( Vector[ *expected ] -
|
532
|
-
Vector[ *actual ] ).norm }.reduce( :+ ), 1e-4
|
533
|
-
expected_recording_string =
|
534
|
-
"0.0,1.0,2.0,3.0\n" +
|
535
|
-
"10.0,0.22265,1.22265,3.77735\n" +
|
536
|
-
"20.0,0.07131,1.07131,3.92869\n" +
|
537
|
-
"30.0,0.02496,1.02496,3.97504\n"
|
538
|
-
assert_equal expected_recording_string, @sim.recording_csv_string
|
539
|
-
end
|
540
|
-
end
|
541
|
-
end
|
542
|
-
|
543
|
-
describe "timed 'isomerization' with given as λ" do
|
544
|
-
before do
|
545
|
-
@t2 = ::YPetri::Transition.new s: { @a => -1, @c => 1 },
|
546
|
-
rate_closure: -> a { a * 0.5 }
|
547
|
-
@net = ::YPetri::Net.new << @a << @b << @c << @t2
|
548
|
-
end
|
549
|
-
|
550
|
-
describe "behavior of #step" do
|
551
|
-
before do
|
552
|
-
@sim = ::YPetri::TimedSimulation.new net: @net,
|
553
|
-
initial_marking: [ @a, @b, @c ].τBᴍHτ( &:default_marking ),
|
554
|
-
step: 1,
|
555
|
-
sampling: 10
|
556
|
-
end
|
557
|
-
|
558
|
-
it "should have expected stoichiometry matrix" do
|
559
|
-
@sim.S.must_equal Matrix[ [-1, 0, 1] ].t
|
560
|
-
m = @sim.step!.marking
|
561
|
-
m[ 0 ].must_be_within_epsilon( 0.5, 1e-6 )
|
562
|
-
m[ 1 ].must_equal 2
|
563
|
-
m[ 2 ].must_be_within_delta( 3.5, 1e-9 )
|
564
|
-
end
|
565
|
-
end
|
566
|
-
end
|
567
|
-
|
568
|
-
describe "timed controlled isomerization" do
|
569
|
-
before do
|
570
|
-
@t3 = ::YPetri::Transition.new s: { @a => -1, @c => 1 },
|
571
|
-
domain: @b,
|
572
|
-
rate: -> a { a * 0.5 }
|
573
|
-
@net = ::YPetri::Net.new << @a << @b << @c << @t3
|
574
|
-
@sim = ::YPetri::TimedSimulation.new net: @net,
|
575
|
-
initial_marking: { @a => 1, @b => 0.6, @c => 3 },
|
576
|
-
step: 1,
|
577
|
-
sampling: 10,
|
578
|
-
target_time: 2
|
579
|
-
end
|
580
|
-
|
581
|
-
it "should exhibit correct behavior of #step" do
|
582
|
-
@sim.marking.must_equal [1.0, 0.6, 3.0]
|
583
|
-
@t3.stoichiometric?.must_equal true
|
584
|
-
@t3.timed?.must_equal true
|
585
|
-
@t3.has_rate?.must_equal true
|
586
|
-
@sim.gradient.must_equal Matrix.cv [-0.3, 0.0, 0.3]
|
587
|
-
@sim.Δ_Euler.must_equal Matrix.cv [-0.3, 0.0, 0.3]
|
588
|
-
@sim.step!
|
589
|
-
@sim.marking_vector.must_equal Matrix.cv [0.7, 0.6, 3.3]
|
590
|
-
@sim.euler_step!
|
591
|
-
@sim.run!
|
592
|
-
@sim.marking_vector.map( &[:round, 5] )
|
593
|
-
.must_equal Matrix.cv [0.4, 0.6, 3.6]
|
594
|
-
end
|
595
|
-
end
|
596
|
-
end
|
597
|
-
|
598
|
-
|
599
|
-
# **************************************************************************
|
600
|
-
# Test of Workspace class.
|
601
|
-
# **************************************************************************
|
602
|
-
#
|
603
|
-
describe ::YPetri::Workspace do
|
604
|
-
before do
|
605
|
-
# skip "to speed up testing"
|
606
|
-
@w = ::YPetri::Workspace.new
|
607
|
-
a = @w.Place.new!( default_marking: 1.0, name: "AA" )
|
608
|
-
b = @w.Place.new!( default_marking: 2.0, name: "BB" )
|
609
|
-
c = @w.Place.new!( ɴ: "CC", default_marking: 3.0 )
|
610
|
-
t1 = @w.Transition.new! s: { a => -1, b => -1, c => 1 },
|
611
|
-
rate: 0.1,
|
612
|
-
ɴ: "AA_BB_assembly"
|
613
|
-
t2 = @w.Transition.new! ɴ: "AA_appearing",
|
614
|
-
codomain: a,
|
615
|
-
rate: -> { 0.1 },
|
616
|
-
stoichiometry: 1
|
617
|
-
@pp, @tt = [a, b, c], [t1, t2]
|
618
|
-
@f_name = "test_output.csv"
|
619
|
-
@w.set_imc @pp.τBᴍHτ( &:default_marking )
|
620
|
-
@w.set_ssc step: 0.1, sampling: 10, target_time: 50
|
621
|
-
@w.set_cc( {} )
|
622
|
-
@sim = @w.new_timed_simulation
|
623
|
-
File.delete @f_name rescue nil
|
624
|
-
end
|
625
|
-
|
626
|
-
it "should present places, transitions, nets, simulations" do
|
627
|
-
assert_kind_of ::YPetri::Net, @w.Net::Top
|
628
|
-
assert_equal @pp[0], @w.place( "AA" )
|
629
|
-
assert_equal :AA, @w.pl( @pp[0] )
|
630
|
-
assert_equal @tt[0], @w.transition( "AA_BB_assembly" )
|
631
|
-
assert_equal :AA_appearing, @w.tr( @tt[1] )
|
632
|
-
assert_equal @pp, @w.places
|
633
|
-
assert_equal @tt, @w.transitions
|
634
|
-
assert_equal 1, @w.nets.size
|
635
|
-
assert_equal 1, @w.simulations.size
|
636
|
-
assert_equal 0, @w.cc.size
|
637
|
-
assert_equal 3, @w.imc.size
|
638
|
-
assert [0.1, 10, 50].each { |e| @w.ssc.include? e }
|
639
|
-
assert_equal @sim, @w.simulation
|
640
|
-
assert_equal [:Base], @w.clamp_collections.keys
|
641
|
-
assert_equal [:Base], @w.initial_marking_collections.keys
|
642
|
-
assert_equal [:Base], @w.simulation_settings_collections.keys
|
643
|
-
assert_equal [:AA, :BB, :CC], @w.pp
|
644
|
-
assert_equal [:AA_BB_assembly, :AA_appearing], @w.tt
|
645
|
-
assert_equal [:Top], @w.nn
|
646
|
-
end
|
647
|
-
|
648
|
-
it "should simulate" do
|
649
|
-
assert_equal 1, @w.simulations.size
|
650
|
-
assert_kind_of( ::YPetri::Simulation, @w.simulation )
|
651
|
-
assert_equal 2, @w.simulation.SR_transitions.size
|
652
|
-
@tt[0].domain.must_equal [ @pp[0], @pp[1] ]
|
653
|
-
@tt[1].domain.must_equal []
|
654
|
-
assert_equal [0.2, 0.1], @w.simulation.φ.column_to_a
|
655
|
-
@w.simulation.step!
|
656
|
-
@w.simulation.run!
|
657
|
-
rec_string = @w.simulation.recording_csv_string
|
658
|
-
expected_recording_string =
|
659
|
-
"0.0,1.0,2.0,3.0\n" +
|
660
|
-
"10.0,0.86102,0.86102,4.13898\n" +
|
661
|
-
"20.0,1.29984,0.29984,4.70016\n"
|
662
|
-
assert rec_string.start_with?( expected_recording_string )
|
663
|
-
end
|
664
|
-
end
|
665
|
-
|
666
|
-
# **************************************************************************
|
667
|
-
# Test of Manipulator class.
|
668
|
-
# **************************************************************************
|
669
|
-
#
|
670
|
-
describe ::YPetri::Manipulator do
|
671
|
-
before do
|
672
|
-
# skip "for now"
|
673
|
-
@m = ::YPetri::Manipulator.new
|
674
|
-
end
|
675
|
-
|
676
|
-
it "has net basic points" do
|
677
|
-
# --- net point related assets ---
|
678
|
-
@m.net_point_reset
|
679
|
-
@m.net_point_set @m.workspace.net( :Top )
|
680
|
-
@m.net.must_equal @m.workspace.Net::Top
|
681
|
-
# --- simulation point related assets ---
|
682
|
-
@m.simulation_point.reset
|
683
|
-
@m.simulation.must_equal nil
|
684
|
-
@m.simulation_point.key.must_equal nil
|
685
|
-
# --- cc point related assets ---
|
686
|
-
@m.cc_point.reset
|
687
|
-
@m.cc_point.set :Base
|
688
|
-
@m.cc.must_equal @m.workspace.clamp_collection
|
689
|
-
@m.cc.wont_equal :Base
|
690
|
-
@m.cc_point.key.must_equal :Base
|
691
|
-
# --- imc point related assets ---
|
692
|
-
@m.imc_point.reset
|
693
|
-
@m.imc_point.set :Base
|
694
|
-
@m.imc.must_equal @m.workspace.initial_marking_collection
|
695
|
-
@m.imc.wont_equal :Base
|
696
|
-
@m.imc_point.key.must_equal :Base
|
697
|
-
# --- ssc point related assets ---
|
698
|
-
@m.ssc_point.reset
|
699
|
-
@m.ssc_point.set :Base
|
700
|
-
@m.ssc.must_equal @m.workspace.simulation_settings_collection
|
701
|
-
@m.ssc.wont_equal :Base
|
702
|
-
@m.ssc_point.key.must_equal :Base
|
703
|
-
end
|
704
|
-
|
705
|
-
it "has basic selections" do
|
706
|
-
@m.net_selection.clear
|
707
|
-
@m.simulation_selection.clear
|
708
|
-
@m.cc_selection.clear
|
709
|
-
@m.imc_selection.clear
|
710
|
-
@m.ssc_selection.clear
|
711
|
-
@m.net_selection.get.must_equal []
|
712
|
-
@m.simulation_selection.get.must_equal []
|
713
|
-
@m.ssc_selection.get.must_equal []
|
714
|
-
@m.cc_selection.get.must_equal []
|
715
|
-
@m.imc_selection.get.must_equal []
|
716
|
-
end
|
717
|
-
|
718
|
-
it "presents some methods from workspace" do
|
719
|
-
[ @m.places, @m.transitions, @m.nets, @m.simulations ].map( &:size )
|
720
|
-
.must_equal [ 0, 0, 1, 0 ]
|
721
|
-
[ @m.clamp_collections,
|
722
|
-
@m.initial_marking_collections,
|
723
|
-
@m.simulation_settings_collections ].map( &:size ).must_equal [ 1, 1, 1 ]
|
724
|
-
[ @m.clamp_collections,
|
725
|
-
@m.initial_marking_collections,
|
726
|
-
@m.simulation_settings_collections ]
|
727
|
-
.map( &:keys ).must_equal [[:Base]] * 3
|
728
|
-
@m.pp.must_equal []
|
729
|
-
@m.tt.must_equal []
|
730
|
-
@m.nn.must_equal [ :Top ] # ie. :Top net spanning whole workspace
|
731
|
-
end
|
732
|
-
|
733
|
-
describe "slightly more complicated case" do
|
734
|
-
before do
|
735
|
-
@p = @m.Place ɴ: "P", default_marking: 1
|
736
|
-
@q = @m.Place ɴ: "Q", default_marking: 1
|
737
|
-
@decay_t = @m.Transition ɴ: "Tp", s: { P: -1 }, rate: 0.1
|
738
|
-
@constant_flux_t = @m.Transition ɴ: "Tq", s: { Q: 1 }, rate: -> { 0.02 }
|
739
|
-
@m.initial_marking @p => 1.2
|
740
|
-
@m.initial_marking @q => 2
|
741
|
-
@m.set_step 0.01
|
742
|
-
@m.set_sampling 1
|
743
|
-
@m.set_time 30
|
744
|
-
end
|
745
|
-
|
746
|
-
it "works" do
|
747
|
-
@m.run!
|
748
|
-
@m.simulation.places.must_equal [ @p, @q ]
|
749
|
-
@m.simulation.transitions.must_equal [ @decay_t, @constant_flux_t ]
|
750
|
-
@m.simulation.SR_tt.must_equal [ :Tp, :Tq ]
|
751
|
-
@m.simulation.sparse_stoichiometry_vector( :Tp )
|
752
|
-
.must_equal Matrix.column_vector( [-1, 0] )
|
753
|
-
@m.simulation.stoichiometry_matrix_for( @m.transitions ).column_size
|
754
|
-
.must_equal 2
|
755
|
-
@m.simulation.stoichiometry_matrix_for( @m.transitions ).row_size
|
756
|
-
.must_equal 2
|
757
|
-
@m.simulation.flux_vector.row_size.must_equal 2
|
758
|
-
# @m.plot_recording
|
759
|
-
end
|
760
|
-
end
|
761
|
-
end
|
762
|
-
|
763
|
-
|
764
|
-
# **************************************************************************
|
765
|
-
# Test of YPetri class itself.
|
766
|
-
# **************************************************************************
|
767
|
-
#
|
768
|
-
describe ::YPetri do
|
769
|
-
before do
|
770
|
-
# skip "to speed up testing"
|
771
|
-
end
|
772
|
-
|
10
|
+
# Unit tests for the YPetri module.
|
11
|
+
#
|
12
|
+
describe YPetri do
|
773
13
|
it "should have basic classes" do
|
774
|
-
[ :Place, :Transition, :Net,
|
775
|
-
|
776
|
-
|
777
|
-
|
14
|
+
assert [ :Place, :Transition, :Net,
|
15
|
+
:Simulation, :TimedSimulation,
|
16
|
+
:Workspace, :Manipulator
|
17
|
+
].all? { |ß| YPetri.const_get( ß ).is_a? Module }
|
778
18
|
end
|
779
19
|
end
|
780
20
|
|
781
|
-
|
782
|
-
#
|
783
|
-
|
784
|
-
|
785
|
-
|
786
|
-
|
787
|
-
|
788
|
-
|
789
|
-
|
790
|
-
# @m.Place name: "B"
|
791
|
-
# @m.Place name: "C", marking: 7.77
|
792
|
-
# @m.Transition name: "A2B", stoichiometry: { A: -1, B: 1 }
|
793
|
-
# @m.Transition name: "C_decay", stoichiometry: { C: -1 }, rate: 0.05
|
794
|
-
# end
|
795
|
-
|
796
|
-
# it "should work" do
|
797
|
-
# @m.place( :A ).marking = 2
|
798
|
-
# @m.place( :B ).marking = 5
|
799
|
-
# @m.places.map( &:name ).must_equal [:A, :B, :C]
|
800
|
-
# @m.places.map( &:marking ).must_equal [2, 5, 7.77]
|
801
|
-
# @m.transition( :A2B ).arcs.must_equal [ @m.place( :A ), @m.place( :B ) ]
|
802
|
-
# @m.transition( :A2B ).fire!
|
803
|
-
# @m.places.map( &:marking ).must_equal [1, 6, 7.77]
|
804
|
-
# @m.transition( :A2B ).fire!
|
805
|
-
# @m.place( :A ).marking.must_equal 0
|
806
|
-
# @m.place( :B ).marking.must_equal 7
|
807
|
-
# 2.times do @m.transition( :C_decay ).fire! 1 end
|
808
|
-
# @m.transition( :C_decay ).fire! 0.1
|
809
|
-
# 200.times do @m.transition( :C_decay ).fire! 1 end
|
810
|
-
# assert_in_delta @m.place( :C ).marking, 0.00024, 0.00001
|
811
|
-
# end
|
812
|
-
# end
|
813
|
-
|
814
|
-
# describe "Basic use of TimedSimulation" do
|
815
|
-
# before do
|
816
|
-
# @m = YPetri::Manipulator.new
|
817
|
-
# @m.Place( name: "A", default_marking: 0.5 )
|
818
|
-
# @m.Place( name: "B", default_marking: 0.5 )
|
819
|
-
# @m.Transition( name: "A_pump",
|
820
|
-
# stoichiometry: { A: -1 },
|
821
|
-
# rate: proc { 0.005 } )
|
822
|
-
# @m.Transition( name: "B_decay",
|
823
|
-
# stoichiometry: { B: -1 },
|
824
|
-
# rate: 0.05 )
|
825
|
-
# end
|
826
|
-
|
827
|
-
# it "should work" do
|
828
|
-
# @m.net.must_be_kind_of ::YPetri::Net
|
829
|
-
# @m.run!
|
830
|
-
# @m.simulation.must_be_kind_of ::YPetri::TimedSimulation
|
831
|
-
# @m.plot_state
|
832
|
-
# sleep 3
|
833
|
-
# end
|
834
|
-
# end
|
835
|
-
|
836
|
-
# describe "Graphviz visualization" do
|
837
|
-
# before do
|
838
|
-
# @m = YPetri::Manipulator.new
|
839
|
-
# @m.Place name: :A, m!: 1
|
840
|
-
# @m.Place name: :B, m!: 1.5
|
841
|
-
# @m.Place name: :C, m!: 2
|
842
|
-
# @m.Place name: :D, m!: 2.5
|
843
|
-
# @m.Transition name: :A_pump, s: { A: -1 }, rate: proc { 0.005 }
|
844
|
-
# @m.Transition name: :B_decay, s: { B: -1 }, rate: 0.05
|
845
|
-
# @m.Transition name: :C_guard, assignment: true, codomain: :C, action: λ { 2 }
|
846
|
-
# end
|
847
|
-
|
848
|
-
# it "should work" do
|
849
|
-
# @m.net.visualize
|
850
|
-
# end
|
851
|
-
# end
|
852
|
-
|
853
|
-
# describe "Simplified dTTP pathway used for demo with Dr. Chang" do
|
854
|
-
# before do
|
855
|
-
# @m = YPetri::Manipulator.new
|
856
|
-
# Cytoplasm_volume_in_litres = 5.0e-11
|
857
|
-
# NA = 6.022e23
|
858
|
-
# Pieces_per_micromolar = NA / 1_000_000 * Cytoplasm_volume_in_litres
|
859
|
-
# @m.set_step 60
|
860
|
-
# @m.set_sampling 300
|
861
|
-
# @m.set_target_time 60 * 60 * 2
|
862
|
-
# AMP = @m.Place( name: :AMP, m!: 8695.0 )
|
863
|
-
# ADP = @m.Place( name: :ADP, m!: 6521.0 )
|
864
|
-
# ATP = @m.Place( name: :ATP, m!: 3152.0 )
|
865
|
-
# Deoxycytidine = @m.Place( name: :Deoxycytidine, m!: 0.5 )
|
866
|
-
# DeoxyCTP = @m.Place( name: :DeoxyCTP, m!: 1.0 )
|
867
|
-
# DeoxyGMP = @m.Place( name: :DeoxyGMP, m!: 1.0 )
|
868
|
-
# UMP_UDP_pool = @m.Place( name: :UMP_UDP_pool, m!: 2737.0 )
|
869
|
-
# DeoxyUMP_DeoxyUDP_pool = @m.Place( name: :DeoxyUMP_DeoxyUDP_pool, m!: 0.0 )
|
870
|
-
# DeoxyTMP = @m.Place( name: :DeoxyTMP, m!: 3.3 )
|
871
|
-
# DeoxyTDP_DeoxyTTP_pool = @m.Place( name: :DeoxyTDP_DeoxyTTP_pool, m!: 5.0 )
|
872
|
-
# Thymidine = @m.Place( name: :Thymidine, m!: 0.5 )
|
873
|
-
# TK1 = @m.Place( name: :TK1, m!: 100_000 )
|
874
|
-
# TYMS = @m.Place( name: :TYMS, m!: 100_000 )
|
875
|
-
# RNR = @m.Place( name: :RNR, m!: 100_000 )
|
876
|
-
# TMPK = @m.Place( name: :TMPK, m!: 100_000 )
|
877
|
-
# TK1_kDa = 24.8
|
878
|
-
# TYMS_kDa = 66.0
|
879
|
-
# RNR_kDa = 140.0
|
880
|
-
# TMPK_kDa = 50.0
|
881
|
-
# TK1_a = 5.40
|
882
|
-
# TYMS_a = 3.80
|
883
|
-
# RNR_a = 1.00
|
884
|
-
# TMPK_a = 0.83
|
885
|
-
# @m.clamp AMP: 8695.0, ADP: 6521.0, ATP: 3152.0
|
886
|
-
# @m.clamp Deoxycytidine: 0.5, DeoxyCTP: 1.0, DeoxyGMP: 1.0
|
887
|
-
# @m.clamp Thymidine: 0.5
|
888
|
-
# @m.clamp UMP_UDP_pool: 2737.0
|
889
|
-
# # Functions
|
890
|
-
# Vmax_per_minute_per_enzyme_molecule =
|
891
|
-
# lambda { |enzyme_specific_activity_in_micromol_per_minute_per_mg,
|
892
|
-
# enzyme_molecular_mass_in_kDa|
|
893
|
-
# enzyme_specific_activity_in_micromol_per_minute_per_mg *
|
894
|
-
# enzyme_molecular_mass_in_kDa }
|
895
|
-
# Vmax_per_minute =
|
896
|
-
# lambda { |specific_activity, kDa, enzyme_molecules_per_cell|
|
897
|
-
# Vmax_per_minute_per_enzyme_molecule.( specific_activity, kDa ) *
|
898
|
-
# enzyme_molecules_per_cell }
|
899
|
-
# Vmax_per_second =
|
900
|
-
# lambda { |specific_activity, kDa, enzyme_molecules_per_cell|
|
901
|
-
# Vmax_per_minute.( specific_activity,
|
902
|
-
# kDa,
|
903
|
-
# enzyme_molecules_per_cell ) / 60 }
|
904
|
-
# Km_reduced =
|
905
|
-
# lambda { |km, ki_hash={}|
|
906
|
-
# ki_hash.map { |concentration, ci_Ki|
|
907
|
-
# concentration / ci_Ki
|
908
|
-
# }.reduce( 1, :+ ) * km }
|
909
|
-
# Occupancy =
|
910
|
-
# lambda { |concentration, reactant_Km, compet_inh_w_Ki_hash={}|
|
911
|
-
# concentration / ( concentration +
|
912
|
-
# Km_reduced.( reactant_Km,
|
913
|
-
# compet_inh_w_Ki_hash ) ) }
|
914
|
-
# MM_with_inh_micromolars_per_second =
|
915
|
-
# lambda { |reactant_concentration,
|
916
|
-
# enzyme_specific_activity,
|
917
|
-
# enzyme_mass_in_kDa,
|
918
|
-
# enzyme_molecules_per_cell,
|
919
|
-
# reactant_Km,
|
920
|
-
# competitive_inh_w_Ki_hash={}|
|
921
|
-
# Vmax_per_second.( enzyme_specific_activity,
|
922
|
-
# enzyme_mass_in_kDa,
|
923
|
-
# enzyme_molecules_per_cell ) *
|
924
|
-
# Occupancy.( reactant_concentration,
|
925
|
-
# reactant_Km,
|
926
|
-
# competitive_inh_w_Ki_hash ) }
|
927
|
-
# MMi = MM_with_inh_micromolars_per_second
|
928
|
-
# TK1_Thymidine_Km = 5.0
|
929
|
-
# TYMS_DeoxyUMP_Km = 2.0
|
930
|
-
# RNR_UDP_Km = 1.0
|
931
|
-
# DNA_creation_speed = 3_000_000_000 / ( 12 * 3600 )
|
932
|
-
# TMPK_DeoxyTMP_Km = 12.0
|
933
|
-
|
934
|
-
# # transitions
|
935
|
-
# @m.Transition name: :TK1_Thymidine_DeoxyTMP,
|
936
|
-
# domain: [ Thymidine, TK1, DeoxyTDP_DeoxyTTP_pool, DeoxyCTP, Deoxycytidine, AMP, ADP, ATP ],
|
937
|
-
# stoichiometry: { Thymidine: -1, DeoxyTMP: 1 },
|
938
|
-
# rate: proc { |rc, e, pool1, ci2, ci3, master1, master2, master3|
|
939
|
-
# ci1 = pool1 * master3 / ( master2 + master3 )
|
940
|
-
# MMi.( rc, TK1_a, TK1_kDa, e, TK1_Thymidine_Km,
|
941
|
-
# ci1 => 13.5, ci2 => 0.8, ci3 => 40.0 ) }
|
942
|
-
# @m.Transition name: :TYMS_DeoxyUMP_DeoxyTMP,
|
943
|
-
# domain: [ DeoxyUMP_DeoxyUDP_pool, TYMS, AMP, ADP, ATP ],
|
944
|
-
# stoichiometry: { DeoxyUMP_DeoxyUDP_pool: -1, DeoxyTMP: 1 },
|
945
|
-
# rate: proc { |pool, e, master1, master2, master3|
|
946
|
-
# rc = pool * master2 / ( master1 + master2 )
|
947
|
-
# MMi.( rc, TYMS_a, TYMS_kDa, e, TYMS_DeoxyUMP_Km ) }
|
948
|
-
# @m.Transition name: :RNR_UDP_DeoxyUDP,
|
949
|
-
# domain: [ UMP_UDP_pool, RNR, DeoxyUMP_DeoxyUDP_pool, AMP, ADP, ATP ],
|
950
|
-
# stoichiometry: { UMP_UDP_pool: -1, DeoxyUMP_DeoxyUDP_pool: 1 },
|
951
|
-
# rate: proc { |pool, e, master1, master2, master3|
|
952
|
-
# rc = pool * master2 / ( master1 + master2 )
|
953
|
-
# MMi.( rc, RNR_a, RNR_kDa, e, RNR_UDP_Km ) }
|
954
|
-
# @m.Transition name: :DNA_polymerase_consumption_of_DeoxyTTP,
|
955
|
-
# stoichiometry: { DeoxyTDP_DeoxyTTP_pool: -1 },
|
956
|
-
# rate: proc { DNA_creation_speed / 4 }
|
957
|
-
# @m.Transition name: :TMPK_DeoxyTMP_DeoxyTDP,
|
958
|
-
# domain: [ DeoxyTMP, TMPK, ADP,
|
959
|
-
# DeoxyTDP_DeoxyTTP_pool,
|
960
|
-
# DeoxyGMP, AMP, ATP ],
|
961
|
-
# stoichiometry: { DeoxyTMP: -1, TMPK: 0, DeoxyTDP_DeoxyTTP_pool: 1 },
|
962
|
-
# rate: proc { |rc, e, ci1, pool, ci4, master1, master3|
|
963
|
-
# master2 = ci1
|
964
|
-
# ci2 = pool * master2 / ( master2 + master3 )
|
965
|
-
# ci3 = pool * master3 / ( master2 + master3 )
|
966
|
-
# MMi.( rc, TMPK_a, TMPK_kDa, e, TMPK_DeoxyTMP_Km,
|
967
|
-
# ci1 => 250.0, ci2 => 30.0, ci3 => 750, ci4 => 117 ) }
|
968
|
-
# end
|
969
|
-
|
970
|
-
# it "should work" do
|
971
|
-
# @m.run!
|
972
|
-
# @m.plot_state
|
973
|
-
# sleep 3
|
974
|
-
# end
|
975
|
-
# end
|
976
|
-
|
977
|
-
# describe "Use of TimedSimulation with units" do
|
978
|
-
# before do
|
979
|
-
# require 'sy'
|
980
|
-
|
981
|
-
# @m = YPetri::Manipulator.new
|
982
|
-
|
983
|
-
# # === General assumptions
|
984
|
-
# Cytoplasm_volume = 5.0e-11.l
|
985
|
-
# Pieces_per_concentration = SY::Nᴀ * Cytoplasm_volume
|
986
|
-
|
987
|
-
# # === Simulation settings
|
988
|
-
# @m.set_step 60.s
|
989
|
-
# @m.set_target_time 10.min
|
990
|
-
# @m.set_sampling 120.s
|
991
|
-
|
992
|
-
# # === Places
|
993
|
-
# AMP = @m.Place m!: 8695.0.µM
|
994
|
-
# ADP = @m.Place m!: 6521.0.µM
|
995
|
-
# ATP = @m.Place m!: 3152.0.µM
|
996
|
-
# Deoxycytidine = @m.Place m!: 0.5.µM
|
997
|
-
# DeoxyCTP = @m.Place m!: 1.0.µM
|
998
|
-
# DeoxyGMP = @m.Place m!: 1.0.µM
|
999
|
-
# U12P = @m.Place m!: 2737.0.µM
|
1000
|
-
# DeoxyU12P = @m.Place m!: 0.0.µM
|
1001
|
-
# DeoxyTMP = @m.Place m!: 3.3.µM
|
1002
|
-
# DeoxyT23P = @m.Place m!: 5.0.µM
|
1003
|
-
# Thymidine = @m.Place m!: 0.5.µM
|
1004
|
-
# TK1 = @m.Place m!: 100_000.unit.( SY::MoleAmount ) / Cytoplasm_volume
|
1005
|
-
# TYMS = @m.Place m!: 100_000.unit.( SY::MoleAmount ) / Cytoplasm_volume
|
1006
|
-
# RNR = @m.Place m!: 100_000.unit.( SY::MoleAmount ) / Cytoplasm_volume
|
1007
|
-
# TMPK = @m.Place m!: 100_000.unit.( SY::MoleAmount ) / Cytoplasm_volume
|
1008
|
-
|
1009
|
-
# # === Enzyme molecular masses
|
1010
|
-
# TK1_m = 24.8.kDa
|
1011
|
-
# TYMS_m = 66.0.kDa
|
1012
|
-
# RNR_m = 140.0.kDa
|
1013
|
-
# TMPK_m = 50.0.kDa
|
1014
|
-
|
1015
|
-
# # === Specific activities of the enzymes
|
1016
|
-
# TK1_a = 5.40.µmol.min⁻¹.mg⁻¹
|
1017
|
-
# TYMS_a = 3.80.µmol.min⁻¹.mg⁻¹
|
1018
|
-
# RNR_a = 1.00.µmol.min⁻¹.mg⁻¹
|
1019
|
-
# TMPK_a = 0.83.µmol.min⁻¹.mg⁻¹
|
1020
|
-
|
1021
|
-
# # === Clamps
|
1022
|
-
# @m.clamp AMP: 8695.0.µM, ADP: 6521.0.µM, ATP: 3152.0.µM
|
1023
|
-
# @m.clamp Deoxycytidine: 0.5.µM, DeoxyCTP: 1.0.µM, DeoxyGMP: 1.0.µM
|
1024
|
-
# @m.clamp Thymidine: 0.5.µM
|
1025
|
-
# @m.clamp U12P: 2737.0.µM
|
1026
|
-
|
1027
|
-
# # === Function closures
|
1028
|
-
|
1029
|
-
# # Vmax of an enzyme.
|
1030
|
-
# #
|
1031
|
-
# Vmax_enzyme = lambda { |specific_activity, mass, enzyme_conc|
|
1032
|
-
# specific_activity * mass * enzyme_conc.( SY::Molecularity )
|
1033
|
-
# }
|
1034
|
-
|
1035
|
-
# # Michaelis constant reduced for competitive inhibitors.
|
1036
|
-
# #
|
1037
|
-
# Km_reduced = lambda { |km, ki_hash={}|
|
1038
|
-
# ki_hash.map { |concentration, ci_Ki|
|
1039
|
-
# concentration / ci_Ki }
|
1040
|
-
# .reduce( 1, :+ ) * km
|
1041
|
-
# }
|
1042
|
-
|
1043
|
-
# # Occupancy of enzyme active sites at given concentration of reactants
|
1044
|
-
# # and competitive inhibitors.
|
1045
|
-
# #
|
1046
|
-
# Occupancy = lambda { |ʀ_conc, ʀ_Km, cɪ_Kɪ={}|
|
1047
|
-
# ʀ_conc / ( ʀ_conc + Km_reduced.( ʀ_Km, cɪ_Kɪ ) )
|
1048
|
-
# }
|
1049
|
-
|
1050
|
-
# # Michaelis and Menten equation with competitive inhibitors.
|
1051
|
-
# #
|
1052
|
-
# MMi = MM_equation_with_inhibitors = lambda {
|
1053
|
-
# |ʀ_conc, ᴇ_specific_activity, ᴇ_mass, ᴇ_conc, ʀ_Km, cɪ_Kɪ={}|
|
1054
|
-
# Vmax_enzyme.( ᴇ_specific_activity, ᴇ_mass, ᴇ_conc ) *
|
1055
|
-
# Occupancy.( ʀ_conc, ʀ_Km, cɪ_Kɪ )
|
1056
|
-
# }
|
1057
|
-
|
1058
|
-
# # === Michaelis constants of the enzymes involved.
|
1059
|
-
|
1060
|
-
# TK1_Thymidine_Km = 5.0.µM
|
1061
|
-
# TYMS_DeoxyUMP_Km = 2.0.µM
|
1062
|
-
# RNR_UDP_Km = 1.0.µM
|
1063
|
-
# TMPK_DeoxyTMP_Km = 12.0.µM
|
1064
|
-
|
1065
|
-
# # === DNA synthesis speed.
|
1066
|
-
|
1067
|
-
# DNA_creation_speed = 3_000_000_000.unit.( SY::MoleAmount ) / 12.h / Cytoplasm_volume
|
1068
|
-
|
1069
|
-
# # === Transitions
|
1070
|
-
|
1071
|
-
# # Synthesis of TMP by TK1.
|
1072
|
-
# #
|
1073
|
-
# TK1_Thymidine_DeoxyTMP = @m.Transition s: { Thymidine: -1, DeoxyTMP: 1 },
|
1074
|
-
# domain: [ Thymidine, TK1, DeoxyT23P, DeoxyCTP, Deoxycytidine, AMP, ADP, ATP ],
|
1075
|
-
# rate: proc { |rc, e, pool1, ci2, ci3, master1, master2, master3|
|
1076
|
-
# ci1 = pool1 * master3 / ( master2 + master3 )
|
1077
|
-
# MMi.( rc, TK1_a, TK1_m, e, TK1_Thymidine_Km,
|
1078
|
-
# ci1 => 13.5.µM, ci2 => 0.8.µM, ci3 => 40.0.µM )
|
1079
|
-
# }
|
1080
|
-
|
1081
|
-
# # Methylation of DeoxyUMP into TMP by TYMS.
|
1082
|
-
# TYMS_DeoxyUMP_DeoxyTMP = @m.Transition s: { DeoxyU12P: -1, DeoxyTMP: 1 },
|
1083
|
-
# domain: [ DeoxyU12P, TYMS, AMP, ADP, ATP ],
|
1084
|
-
# rate: proc { |pool, e, master1, master2, master3|
|
1085
|
-
# rc = pool * master2 / ( master1 + master2 )
|
1086
|
-
# MMi.( rc, TYMS_a, TYMS_m, e, TYMS_DeoxyUMP_Km )
|
1087
|
-
# }
|
1088
|
-
|
1089
|
-
# # Reduction of UDP into DeoxyUDP by RNR.
|
1090
|
-
# RNR_UDP_DeoxyUDP = @m.Transition s: { U12P: -1, DeoxyU12P: 1 },
|
1091
|
-
# domain: [ U12P, RNR, DeoxyU12P, AMP, ADP, ATP ],
|
1092
|
-
# rate: proc { |pool, e, master1, master2, master3|
|
1093
|
-
# rc = pool * master2 / ( master1 + master2 )
|
1094
|
-
# MMi.( rc, RNR_a, RNR_m, e, RNR_UDP_Km )
|
1095
|
-
# }
|
1096
|
-
|
1097
|
-
# # Consumption of TTP by DNA synthesis.
|
1098
|
-
# DeoxyTTP_to_DNA = @m.Transition s: { DeoxyT23P: -1 },
|
1099
|
-
# rate: proc { DNA_creation_speed / 4 }
|
1100
|
-
|
1101
|
-
# # Phosphorylation of TMP into TDP-TTP pool.
|
1102
|
-
# TMPK_DeoxyTMP_DeoxyTDP = @m.Transition s: { DeoxyTMP: -1, TMPK: 0, DeoxyT23P: 1 },
|
1103
|
-
# domain: [ DeoxyTMP, TMPK, ADP, DeoxyT23P, DeoxyGMP, AMP, ATP ],
|
1104
|
-
# rate: proc { |rc, e, ci1, pool, ci4, master1, master3|
|
1105
|
-
# master2 = ci1
|
1106
|
-
# ci2 = pool * master2 / ( master2 + master3 )
|
1107
|
-
# ci3 = pool * master3 / ( master2 + master3 )
|
1108
|
-
# MMi.( rc, TMPK_a, TMPK_m, e, TMPK_DeoxyTMP_Km,
|
1109
|
-
# ci1 => 250.0.µM, ci2 => 30.0.µM, ci3 => 750.µM, ci4 => 117.µM )
|
1110
|
-
# }
|
1111
|
-
# end
|
1112
|
-
|
1113
|
-
# it "should work" do
|
1114
|
-
# # === Simulation execution
|
1115
|
-
# @m.run!
|
1116
|
-
# # === Plotting of the results
|
1117
|
-
# @m.plot_state
|
1118
|
-
# sleep 20
|
1119
|
-
# end
|
1120
|
-
# end
|
21
|
+
# Run all other unit tests.
|
22
|
+
#
|
23
|
+
require_relative 'place_test'
|
24
|
+
require_relative 'transition_test'
|
25
|
+
require_relative 'net_test'
|
26
|
+
require_relative 'simulation_test'
|
27
|
+
require_relative 'timed_simulation_test'
|
28
|
+
require_relative 'workspace_test'
|
29
|
+
require_relative 'manipulator_test'
|