labimotion 1.4.0.rc11 → 1.4.0.rc12
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 +1 -1
checksums.yaml
CHANGED
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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: 845b494d26394b1bd9a4b4aa3df035d4770fa362cd17d56f8de20f4e0e75f0ad
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data.tar.gz: 5099822a69c3e9184d37e79612fddb70ff780a6edb35b84a2e19f54c1904ddb9
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SHA512:
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metadata.gz:
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data.tar.gz:
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metadata.gz: ba938cb0ae39b16ab62a38d0e0d8113ff700e7b762b817deaa2c7fdf1707cf7388792dd378628fad1631cf0314530f09b7b2127ba25d783bb1bdf73c27a0e57e
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data.tar.gz: 15f16e4381082263476499c747cc2fc9cab5b6e068043cb6b34069fc635ffde7bf0735837ee5a44a32044d226e8fc05e10f1fea70becea12139dc3e25a5f95ca
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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