labimotion 1.4.0.rc11 → 1.4.0
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 +4 -4
- data/lib/labimotion/apis/converter_api.rb +10 -6
- data/lib/labimotion/version.rb +1 -1
- metadata +3 -3
checksums.yaml
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@@ -1,7 +1,7 @@
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---
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SHA256:
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metadata.gz:
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data.tar.gz:
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metadata.gz: 0d5a4e5bede72cabd2f16bd75fbf033750939bbcb7cce96a4290382ddfd1026e
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data.tar.gz: 86575f263c012a3c68a554d015ee94865ec145e31f62bcd7809d13c87837f13b
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SHA512:
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metadata.gz:
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data.tar.gz:
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metadata.gz: 4954307a55b22171b0ac8cffd598cb4d976116ce3c802a2a0f89c58098e888fb5f06e7c26ac5fab312170ab20b18967f07f6a6ecbbfde67af0b3a59f2f5f64b0
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data.tar.gz: 7042d287f388a5cd7e2b40c98092e61a60352e7eb7f9da9900c1fee1b5e0b4a4223deae5ba8bfe109940e4d429c053e10a5f3aef84ca0c4453ba339ab2d7dd25
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@@ -39,24 +39,28 @@ module Labimotion
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helpers do
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def convert_structure(molfile)
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molecule_viewer = Matrice.molecule_viewer
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if molecule_viewer.blank? || molecule_viewer[:
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if molecule_viewer.blank? || molecule_viewer[:chembox_api].blank?
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{ molfile: molfile }
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else
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options = { timeout: 10, body: { mol: molfile }.to_json, headers: { 'Content-Type' => 'application/json' } }
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response = HTTParty.post(molecule_viewer[:
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response.code == 200
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response = HTTParty.post("#{molecule_viewer[:chembox_api]}/core/rdkit/v1/structure", options)
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if response.code == 200
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{ molfile: (response.parsed_response && response.parsed_response['molfile']) || molfile }
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else
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{ molfile: molfile }
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end
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end
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end
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end
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desc 'convert molfile to 3d'
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params do
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requires :
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requires :mol, type: String, desc: 'Molecule molfile'
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end
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post do
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convert_structure(params[:
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convert_structure(params[:mol])
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rescue StandardError => e
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# return { msg: { level: 'error', message: e } }
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{ molfile: params[:
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{ molfile: params[:mol], msg: { level: 'error', message: e } }
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end
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end
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data/lib/labimotion/version.rb
CHANGED
metadata
CHANGED
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@@ -1,7 +1,7 @@
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--- !ruby/object:Gem::Specification
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name: labimotion
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version: !ruby/object:Gem::Version
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version: 1.4.0
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version: 1.4.0
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platform: ruby
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authors:
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- Chia-Lin Lin
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@@ -123,9 +123,9 @@ required_ruby_version: !ruby/object:Gem::Requirement
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version: '0'
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required_rubygems_version: !ruby/object:Gem::Requirement
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requirements:
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-
- - "
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- - ">="
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- !ruby/object:Gem::Version
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version:
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version: '0'
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requirements: []
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rubygems_version: 3.1.6
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signing_key:
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