crysna 0.0.4
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- checksums.yaml +7 -0
- data/.document +5 -0
- data/CHANGES +24 -0
- data/Gemfile +26 -0
- data/Gemfile.lock +91 -0
- data/LICENSE.txt +20 -0
- data/README.rdoc +19 -0
- data/Rakefile +53 -0
- data/VERSION +1 -0
- data/bin/checkmodel +66 -0
- data/bin/collectcell +92 -0
- data/bin/fitframe +68 -0
- data/bin/occupiedpolyhedralsite +96 -0
- data/bin/occupiedscattersite +77 -0
- data/bin/site2poscar +66 -0
- data/bin/site2pov +30 -0
- data/bin/sitecombination +69 -0
- data/bin/sitemigration +80 -0
- data/bin/sitemigrationdistance +87 -0
- data/bin/siteoperation +109 -0
- data/bin/sitesingle +36 -0
- data/bin/siteuniq +32 -0
- data/bin/symidsite +65 -0
- data/bin/transitcell +46 -0
- data/crysna.gemspec +219 -0
- data/lib/crysna.rb +26 -0
- data/lib/crysna/atom.rb +97 -0
- data/lib/crysna/cell.rb +314 -0
- data/lib/crysna/frameatom.rb +13 -0
- data/lib/crysna/frameinterstitialcell.rb +309 -0
- data/lib/crysna/interstitialatom.rb +13 -0
- data/lib/crysna/modelstructure.rb +333 -0
- data/lib/crysna/optionmanager.rb +177 -0
- data/lib/crysna/site.rb +35 -0
- data/lib/crysna/siteconfiguration.rb +26 -0
- data/lib/crysna/sitenamelabeledcell.rb +220 -0
- data/lib/crysna/siteoperation.rb +56 -0
- data/lib/crysna/sitewithposition.rb +24 -0
- data/lib/crysna/transitionfinder.rb +448 -0
- data/lib/crysna/transitionfinder/cell.rb +144 -0
- data/lib/crysna/transitionfinder/cellmanager.rb +129 -0
- data/lib/crysna/transitionfinder/edge.rb +54 -0
- data/test/.gitignore +1 -0
- data/test/cell_orig/POSCAR +17 -0
- data/test/cell_orig/model.yaml +122 -0
- data/test/collectcells/.gitignore +2 -0
- data/test/collectcells/model.yaml +154 -0
- data/test/collectcells/nooutcar/minexpconfiguration.yaml +22 -0
- data/test/collectcells/normal-higher/OUTCAR +2406 -0
- data/test/collectcells/normal-higher/minexpconfiguration.yaml +22 -0
- data/test/collectcells/normal-lower/OUTCAR +2406 -0
- data/test/collectcells/normal-lower/minexpconfiguration.yaml +22 -0
- data/test/collectcells/normal/OUTCAR +2406 -0
- data/test/collectcells/normal/minexpconfiguration.yaml +22 -0
- data/test/collectcells/normalB/OUTCAR +2406 -0
- data/test/collectcells/normalB/minexpconfiguration.yaml +22 -0
- data/test/collectcells/unfinished/OUTCAR +40702 -0
- data/test/collectcells/unfinished/minexpconfiguration.yaml +22 -0
- data/test/collectcells/unidentified/OUTCAR +3541 -0
- data/test/collectcells/unidentified/minexpconfiguration.yaml +2 -0
- data/test/fitmodelstructure/.gitignore +1 -0
- data/test/fitmodelstructure/AgI/CONTCAR +17 -0
- data/test/fitmodelstructure/AgI/fitmodelstructure.log +1161 -0
- data/test/fitmodelstructure/AgI/model.yaml +45 -0
- data/test/fitmodelstructure/normal/CONTCAR +17 -0
- data/test/fitmodelstructure/normal/fitmodelstructure.log +5063 -0
- data/test/fitmodelstructure/normal/model.yaml +122 -0
- data/test/fitmodelstructure/unidentified/CONTCAR +44 -0
- data/test/fitmodelstructure/unidentified/fitmodelstructure.log +8833 -0
- data/test/fitmodelstructure/unidentified/model.yaml +154 -0
- data/test/helper.rb +17 -0
- data/test/identifypolyhedralsites/.gitignore +1 -0
- data/test/identifypolyhedralsites/identifyatomsites.log +333 -0
- data/test/identifypolyhedralsites/normal/fitmodelstructure.yaml +60 -0
- data/test/identifypolyhedralsites/normal/model.yaml +122 -0
- data/test/identifypolyhedralsites/unidentified/fitmodelstructure.yaml +2 -0
- data/test/identifypolyhedralsites/unidentified/model.yaml +154 -0
- data/test/identifypolyhedralsites/volumemismatch/fitmodelstructure.yaml +101 -0
- data/test/identifypolyhedralsites/volumemismatch/model.yaml +154 -0
- data/test/identifyscattersites/CONTCAR +17 -0
- data/test/identifyscattersites/POSCAR +12 -0
- data/test/identifyscattersites/fitmodelstructure.log +1 -0
- data/test/identifyscattersites/fitmodelstructure.yaml +0 -0
- data/test/identifyscattersites/identifyscattersites.yaml +5 -0
- data/test/identifyscattersites/model.yaml +45 -0
- data/test/minexpconfiguration/.gitignore +1 -0
- data/test/minexpconfiguration/collective/AgI/.gitignore +2 -0
- data/test/minexpconfiguration/collective/AgI/siteoperations.yaml +51265 -0
- data/test/minexpconfiguration/collective/AgI/sitesingle.yaml +15 -0
- data/test/minexpconfiguration/collective/AgI/test.sh +2 -0
- data/test/minexpconfiguration/normal/identifysites.yaml +22 -0
- data/test/minexpconfiguration/normal/minexpconfiguration.log +0 -0
- data/test/minexpconfiguration/normal/siteoperations.yaml +1793 -0
- data/test/minexpconfiguration/unidentified/identifysites.yaml +2 -0
- data/test/minexpconfiguration/unidentified/siteoperations.yaml +1793 -0
- data/test/sitecombination/initsites.yaml +7 -0
- data/test/sitecombination/initsites_test2.yaml +8 -0
- data/test/sitecombination/sitecombination.yaml +29 -0
- data/test/siteconfiguration/elements-sitenames.yaml +2 -0
- data/test/siteconfiguration/latticeaxes.yaml +3 -0
- data/test/siteconfiguration/sitenames-coordinates.yaml +4 -0
- data/test/sitemigrationsdistance/model.yaml +45 -0
- data/test/siteoperations/.gitignore +2 -0
- data/test/siteoperations/model.yaml +43 -0
- data/test/siteoperations/symmetryoperations.yaml +1441 -0
- data/test/sitesingle/.gitignore +1 -0
- data/test/sitesingle/sitecombination.yaml +29 -0
- data/test/siteuniq/minexpconfiguration.yaml +15 -0
- data/test/siteuniq/siteuniq.yaml +8 -0
- data/test/test_atom.rb +206 -0
- data/test/test_cell.rb +604 -0
- data/test/test_commands.rb +340 -0
- data/test/test_crystana.rb +7 -0
- data/test/test_frameatom.rb +22 -0
- data/test/test_frameinterstitialcell.rb +939 -0
- data/test/test_interstitialatom.rb +22 -0
- data/test/test_modelstructure.rb +807 -0
- data/test/test_optionmanager.rb +172 -0
- data/test/test_site.rb +40 -0
- data/test/test_siteconfiguration.rb +29 -0
- data/test/test_sitenamelabeledcell.rb +528 -0
- data/test/test_siteoperation.rb +79 -0
- data/test/test_sitewithposition.rb +20 -0
- data/test/test_transitionfinder.rb +432 -0
- data/test/transitcell/.gitignore +2 -0
- data/test/transitcell/collectcells.yaml +51 -0
- data/test/transitcell/sitemigrations.yaml +8 -0
- data/test/transitcell/siteoperations.yaml +17 -0
- data/test/transitcell/transitcell.log +1342 -0
- data/test/transitionfinder/collectcells.yaml +81 -0
- data/test/transitionfinder/sitemigrations.yaml +33 -0
- data/test/transitionfinder/siteoperations.yaml +16 -0
- data/test/transitionfinder/test_cell.rb +287 -0
- data/test/transitionfinder/test_cellmanager.rb +185 -0
- data/test/transitionfinder/test_edge.rb +49 -0
- data/test/uniquesitesgenerator/elements-sitenames.yaml +1 -0
- data/test/uniquesitesgenerator/siteoperations.yaml +9 -0
- metadata +406 -0
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#! /usr/bin/env ruby
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# coding: utf-8
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require "helper"
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#require "test/unit"
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#require "pkg/klass.rb"
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class TC_Edge < Test::Unit::TestCase
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def setup
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@e00 = Crysna::TransitionFinder::Edge.new([0, 1], -1.0, "A->B")
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@e01 = Crysna::TransitionFinder::Edge.new([0, 2], -1.0, "A->B")
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@e02 = Crysna::TransitionFinder::Edge.new([1, 0], -1.0, "A->B")
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@e03 = Crysna::TransitionFinder::Edge.new([2, 1], -1.0, "A->B")
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@e04 = Crysna::TransitionFinder::Edge.new([0, 1], -2.0, "A->B")
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@e05 = Crysna::TransitionFinder::Edge.new([0, 1], -1.0, "A->C")
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#@e00 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,0,0], 0, -1.0)
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#@e01 = Crysna::TransitionFinder::Edge.new([0, 2], 0, "B", [0,0,0], 0, -1.0)
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#@e02 = Crysna::TransitionFinder::Edge.new([0, 1], 1, "B", [0,0,0], 0, -1.0)
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#@e03 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "C", [0,0,0], 0, -1.0)
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#@e04 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [1,0,0], 0, -1.0)
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#@e05 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,1,0], 0, -1.0)
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#@e06 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,0,1], 0, -1.0)
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#@e07 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,0,-1], 0, -1.0)
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#@e08 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,0,0], 1, -1.0)
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#@e09 = Crysna::TransitionFinder::Edge.new([0, 1], 0, "B", [0,0,0], 0, -2.0)
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end
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def test_equal
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assert_equal(true , @e00 == @e00)
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assert_equal(false, @e00 == @e01)
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assert_equal(false, @e00 == @e02)
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assert_equal(false, @e00 == @e03)
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assert_equal(false, @e00 == @e04)
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assert_equal(false, @e00 == @e05)
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e00a = Crysna::TransitionFinder::Edge.new([0, 1], -1.0, "A->B")
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assert_equal(true , @e00 == e00a)
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end
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def test_note
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#assert_equal('cell:0->1(elem:mig:A->B, ope:0, wgt:-1.0)' , @e00.note)
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assert_equal("A->B" , @e00.note)
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end
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#def test_to_s_short
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# TODO
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#end
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end
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0: ["a", "b", "c", "d"]
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metadata
ADDED
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--- !ruby/object:Gem::Specification
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name: crysna
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version: !ruby/object:Gem::Version
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version: 0.0.4
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platform: ruby
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authors:
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- ippei94da
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autorequire:
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bindir: bin
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cert_chain: []
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date: 2016-04-20 00:00:00.000000000 Z
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dependencies:
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- !ruby/object:Gem::Dependency
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name: test-unit
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '3.1'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '3.1'
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- !ruby/object:Gem::Dependency
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name: rdoc
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '4.2'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '4.2'
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- !ruby/object:Gem::Dependency
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name: bundler
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '1.11'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '1.11'
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- !ruby/object:Gem::Dependency
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name: jeweler
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '2.0'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '2.0'
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- !ruby/object:Gem::Dependency
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name: simplecov
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.11'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.11'
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- !ruby/object:Gem::Dependency
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name: progressbar
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.21'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.21'
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- !ruby/object:Gem::Dependency
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name: ruby-graphviz
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '1.2'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '1.2'
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- !ruby/object:Gem::Dependency
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name: mageo
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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- !ruby/object:Gem::Dependency
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name: malge
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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- !ruby/object:Gem::Dependency
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name: crystalcell
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requirement: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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- !ruby/object:Gem::Version
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version: '0.0'
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- !ruby/object:Gem::Dependency
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name: builtinextension
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requirement: !ruby/object:Gem::Requirement
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requirements:
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157
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+
- - "~>"
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158
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+
- !ruby/object:Gem::Version
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159
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version: '0.1'
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160
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+
type: :development
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161
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prerelease: false
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162
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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164
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+
- - "~>"
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165
|
+
- !ruby/object:Gem::Version
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166
|
+
version: '0.1'
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167
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+
- !ruby/object:Gem::Dependency
|
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168
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name: maset
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|
169
|
+
requirement: !ruby/object:Gem::Requirement
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170
|
+
requirements:
|
|
171
|
+
- - "~>"
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|
172
|
+
- !ruby/object:Gem::Version
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173
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version: '0.0'
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174
|
+
type: :development
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175
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+
prerelease: false
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176
|
+
version_requirements: !ruby/object:Gem::Requirement
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177
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+
requirements:
|
|
178
|
+
- - "~>"
|
|
179
|
+
- !ruby/object:Gem::Version
|
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180
|
+
version: '0.0'
|
|
181
|
+
- !ruby/object:Gem::Dependency
|
|
182
|
+
name: comana
|
|
183
|
+
requirement: !ruby/object:Gem::Requirement
|
|
184
|
+
requirements:
|
|
185
|
+
- - "~>"
|
|
186
|
+
- !ruby/object:Gem::Version
|
|
187
|
+
version: '0.0'
|
|
188
|
+
type: :development
|
|
189
|
+
prerelease: false
|
|
190
|
+
version_requirements: !ruby/object:Gem::Requirement
|
|
191
|
+
requirements:
|
|
192
|
+
- - "~>"
|
|
193
|
+
- !ruby/object:Gem::Version
|
|
194
|
+
version: '0.0'
|
|
195
|
+
- !ruby/object:Gem::Dependency
|
|
196
|
+
name: gnuplot
|
|
197
|
+
requirement: !ruby/object:Gem::Requirement
|
|
198
|
+
requirements:
|
|
199
|
+
- - "~>"
|
|
200
|
+
- !ruby/object:Gem::Version
|
|
201
|
+
version: '2.6'
|
|
202
|
+
type: :development
|
|
203
|
+
prerelease: false
|
|
204
|
+
version_requirements: !ruby/object:Gem::Requirement
|
|
205
|
+
requirements:
|
|
206
|
+
- - "~>"
|
|
207
|
+
- !ruby/object:Gem::Version
|
|
208
|
+
version: '2.6'
|
|
209
|
+
- !ruby/object:Gem::Dependency
|
|
210
|
+
name: vasputils
|
|
211
|
+
requirement: !ruby/object:Gem::Requirement
|
|
212
|
+
requirements:
|
|
213
|
+
- - "~>"
|
|
214
|
+
- !ruby/object:Gem::Version
|
|
215
|
+
version: '0.1'
|
|
216
|
+
type: :development
|
|
217
|
+
prerelease: false
|
|
218
|
+
version_requirements: !ruby/object:Gem::Requirement
|
|
219
|
+
requirements:
|
|
220
|
+
- - "~>"
|
|
221
|
+
- !ruby/object:Gem::Version
|
|
222
|
+
version: '0.1'
|
|
223
|
+
description: This gem provide a site analysis for crystal cell.
|
|
224
|
+
email: ippei94da@gmail.com
|
|
225
|
+
executables:
|
|
226
|
+
- checkmodel
|
|
227
|
+
- collectcell
|
|
228
|
+
- fitframe
|
|
229
|
+
- occupiedpolyhedralsite
|
|
230
|
+
- occupiedscattersite
|
|
231
|
+
- site2poscar
|
|
232
|
+
- site2pov
|
|
233
|
+
- sitecombination
|
|
234
|
+
- sitemigration
|
|
235
|
+
- sitemigrationdistance
|
|
236
|
+
- siteoperation
|
|
237
|
+
- sitesingle
|
|
238
|
+
- siteuniq
|
|
239
|
+
- symidsite
|
|
240
|
+
- transitcell
|
|
241
|
+
extensions: []
|
|
242
|
+
extra_rdoc_files:
|
|
243
|
+
- LICENSE.txt
|
|
244
|
+
- README.rdoc
|
|
245
|
+
files:
|
|
246
|
+
- ".document"
|
|
247
|
+
- CHANGES
|
|
248
|
+
- Gemfile
|
|
249
|
+
- Gemfile.lock
|
|
250
|
+
- LICENSE.txt
|
|
251
|
+
- README.rdoc
|
|
252
|
+
- Rakefile
|
|
253
|
+
- VERSION
|
|
254
|
+
- bin/checkmodel
|
|
255
|
+
- bin/collectcell
|
|
256
|
+
- bin/fitframe
|
|
257
|
+
- bin/occupiedpolyhedralsite
|
|
258
|
+
- bin/occupiedscattersite
|
|
259
|
+
- bin/site2poscar
|
|
260
|
+
- bin/site2pov
|
|
261
|
+
- bin/sitecombination
|
|
262
|
+
- bin/sitemigration
|
|
263
|
+
- bin/sitemigrationdistance
|
|
264
|
+
- bin/siteoperation
|
|
265
|
+
- bin/sitesingle
|
|
266
|
+
- bin/siteuniq
|
|
267
|
+
- bin/symidsite
|
|
268
|
+
- bin/transitcell
|
|
269
|
+
- crysna.gemspec
|
|
270
|
+
- lib/crysna.rb
|
|
271
|
+
- lib/crysna/atom.rb
|
|
272
|
+
- lib/crysna/cell.rb
|
|
273
|
+
- lib/crysna/frameatom.rb
|
|
274
|
+
- lib/crysna/frameinterstitialcell.rb
|
|
275
|
+
- lib/crysna/interstitialatom.rb
|
|
276
|
+
- lib/crysna/modelstructure.rb
|
|
277
|
+
- lib/crysna/optionmanager.rb
|
|
278
|
+
- lib/crysna/site.rb
|
|
279
|
+
- lib/crysna/siteconfiguration.rb
|
|
280
|
+
- lib/crysna/sitenamelabeledcell.rb
|
|
281
|
+
- lib/crysna/siteoperation.rb
|
|
282
|
+
- lib/crysna/sitewithposition.rb
|
|
283
|
+
- lib/crysna/transitionfinder.rb
|
|
284
|
+
- lib/crysna/transitionfinder/cell.rb
|
|
285
|
+
- lib/crysna/transitionfinder/cellmanager.rb
|
|
286
|
+
- lib/crysna/transitionfinder/edge.rb
|
|
287
|
+
- test/.gitignore
|
|
288
|
+
- test/cell_orig/POSCAR
|
|
289
|
+
- test/cell_orig/model.yaml
|
|
290
|
+
- test/collectcells/.gitignore
|
|
291
|
+
- test/collectcells/model.yaml
|
|
292
|
+
- test/collectcells/nooutcar/minexpconfiguration.yaml
|
|
293
|
+
- test/collectcells/normal-higher/OUTCAR
|
|
294
|
+
- test/collectcells/normal-higher/minexpconfiguration.yaml
|
|
295
|
+
- test/collectcells/normal-lower/OUTCAR
|
|
296
|
+
- test/collectcells/normal-lower/minexpconfiguration.yaml
|
|
297
|
+
- test/collectcells/normal/OUTCAR
|
|
298
|
+
- test/collectcells/normal/minexpconfiguration.yaml
|
|
299
|
+
- test/collectcells/normalB/OUTCAR
|
|
300
|
+
- test/collectcells/normalB/minexpconfiguration.yaml
|
|
301
|
+
- test/collectcells/unfinished/OUTCAR
|
|
302
|
+
- test/collectcells/unfinished/minexpconfiguration.yaml
|
|
303
|
+
- test/collectcells/unidentified/OUTCAR
|
|
304
|
+
- test/collectcells/unidentified/minexpconfiguration.yaml
|
|
305
|
+
- test/fitmodelstructure/.gitignore
|
|
306
|
+
- test/fitmodelstructure/AgI/CONTCAR
|
|
307
|
+
- test/fitmodelstructure/AgI/fitmodelstructure.log
|
|
308
|
+
- test/fitmodelstructure/AgI/model.yaml
|
|
309
|
+
- test/fitmodelstructure/normal/CONTCAR
|
|
310
|
+
- test/fitmodelstructure/normal/fitmodelstructure.log
|
|
311
|
+
- test/fitmodelstructure/normal/model.yaml
|
|
312
|
+
- test/fitmodelstructure/unidentified/CONTCAR
|
|
313
|
+
- test/fitmodelstructure/unidentified/fitmodelstructure.log
|
|
314
|
+
- test/fitmodelstructure/unidentified/model.yaml
|
|
315
|
+
- test/helper.rb
|
|
316
|
+
- test/identifypolyhedralsites/.gitignore
|
|
317
|
+
- test/identifypolyhedralsites/identifyatomsites.log
|
|
318
|
+
- test/identifypolyhedralsites/normal/fitmodelstructure.yaml
|
|
319
|
+
- test/identifypolyhedralsites/normal/model.yaml
|
|
320
|
+
- test/identifypolyhedralsites/unidentified/fitmodelstructure.yaml
|
|
321
|
+
- test/identifypolyhedralsites/unidentified/model.yaml
|
|
322
|
+
- test/identifypolyhedralsites/volumemismatch/fitmodelstructure.yaml
|
|
323
|
+
- test/identifypolyhedralsites/volumemismatch/model.yaml
|
|
324
|
+
- test/identifyscattersites/CONTCAR
|
|
325
|
+
- test/identifyscattersites/POSCAR
|
|
326
|
+
- test/identifyscattersites/fitmodelstructure.log
|
|
327
|
+
- test/identifyscattersites/fitmodelstructure.yaml
|
|
328
|
+
- test/identifyscattersites/identifyscattersites.yaml
|
|
329
|
+
- test/identifyscattersites/model.yaml
|
|
330
|
+
- test/minexpconfiguration/.gitignore
|
|
331
|
+
- test/minexpconfiguration/collective/AgI/.gitignore
|
|
332
|
+
- test/minexpconfiguration/collective/AgI/siteoperations.yaml
|
|
333
|
+
- test/minexpconfiguration/collective/AgI/sitesingle.yaml
|
|
334
|
+
- test/minexpconfiguration/collective/AgI/test.sh
|
|
335
|
+
- test/minexpconfiguration/normal/identifysites.yaml
|
|
336
|
+
- test/minexpconfiguration/normal/minexpconfiguration.log
|
|
337
|
+
- test/minexpconfiguration/normal/siteoperations.yaml
|
|
338
|
+
- test/minexpconfiguration/unidentified/identifysites.yaml
|
|
339
|
+
- test/minexpconfiguration/unidentified/siteoperations.yaml
|
|
340
|
+
- test/sitecombination/initsites.yaml
|
|
341
|
+
- test/sitecombination/initsites_test2.yaml
|
|
342
|
+
- test/sitecombination/sitecombination.yaml
|
|
343
|
+
- test/siteconfiguration/elements-sitenames.yaml
|
|
344
|
+
- test/siteconfiguration/latticeaxes.yaml
|
|
345
|
+
- test/siteconfiguration/sitenames-coordinates.yaml
|
|
346
|
+
- test/sitemigrationsdistance/model.yaml
|
|
347
|
+
- test/siteoperations/.gitignore
|
|
348
|
+
- test/siteoperations/model.yaml
|
|
349
|
+
- test/siteoperations/symmetryoperations.yaml
|
|
350
|
+
- test/sitesingle/.gitignore
|
|
351
|
+
- test/sitesingle/sitecombination.yaml
|
|
352
|
+
- test/siteuniq/minexpconfiguration.yaml
|
|
353
|
+
- test/siteuniq/siteuniq.yaml
|
|
354
|
+
- test/test_atom.rb
|
|
355
|
+
- test/test_cell.rb
|
|
356
|
+
- test/test_commands.rb
|
|
357
|
+
- test/test_crystana.rb
|
|
358
|
+
- test/test_frameatom.rb
|
|
359
|
+
- test/test_frameinterstitialcell.rb
|
|
360
|
+
- test/test_interstitialatom.rb
|
|
361
|
+
- test/test_modelstructure.rb
|
|
362
|
+
- test/test_optionmanager.rb
|
|
363
|
+
- test/test_site.rb
|
|
364
|
+
- test/test_siteconfiguration.rb
|
|
365
|
+
- test/test_sitenamelabeledcell.rb
|
|
366
|
+
- test/test_siteoperation.rb
|
|
367
|
+
- test/test_sitewithposition.rb
|
|
368
|
+
- test/test_transitionfinder.rb
|
|
369
|
+
- test/transitcell/.gitignore
|
|
370
|
+
- test/transitcell/collectcells.yaml
|
|
371
|
+
- test/transitcell/sitemigrations.yaml
|
|
372
|
+
- test/transitcell/siteoperations.yaml
|
|
373
|
+
- test/transitcell/transitcell.log
|
|
374
|
+
- test/transitionfinder/collectcells.yaml
|
|
375
|
+
- test/transitionfinder/sitemigrations.yaml
|
|
376
|
+
- test/transitionfinder/siteoperations.yaml
|
|
377
|
+
- test/transitionfinder/test_cell.rb
|
|
378
|
+
- test/transitionfinder/test_cellmanager.rb
|
|
379
|
+
- test/transitionfinder/test_edge.rb
|
|
380
|
+
- test/uniquesitesgenerator/elements-sitenames.yaml
|
|
381
|
+
- test/uniquesitesgenerator/siteoperations.yaml
|
|
382
|
+
homepage: http://github.com/ippei94da/crysna
|
|
383
|
+
licenses:
|
|
384
|
+
- MIT
|
|
385
|
+
metadata: {}
|
|
386
|
+
post_install_message:
|
|
387
|
+
rdoc_options: []
|
|
388
|
+
require_paths:
|
|
389
|
+
- lib
|
|
390
|
+
required_ruby_version: !ruby/object:Gem::Requirement
|
|
391
|
+
requirements:
|
|
392
|
+
- - ">="
|
|
393
|
+
- !ruby/object:Gem::Version
|
|
394
|
+
version: '0'
|
|
395
|
+
required_rubygems_version: !ruby/object:Gem::Requirement
|
|
396
|
+
requirements:
|
|
397
|
+
- - ">="
|
|
398
|
+
- !ruby/object:Gem::Version
|
|
399
|
+
version: '0'
|
|
400
|
+
requirements: []
|
|
401
|
+
rubyforge_project:
|
|
402
|
+
rubygems_version: 2.5.1
|
|
403
|
+
signing_key:
|
|
404
|
+
specification_version: 4
|
|
405
|
+
summary: CRYstal Site aNAlyzser.
|
|
406
|
+
test_files: []
|