labimotion 1.4.0 → 1.4.0.1
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- checksums.yaml +4 -4
- data/lib/labimotion/apis/converter_api.rb +2 -2
- 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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1
1
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---
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2
2
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SHA256:
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3
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-
metadata.gz:
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4
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-
data.tar.gz:
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3
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+
metadata.gz: b71d187c31ec221dea2c2ac6d92bf29efbf4004e16b48cf7a2bd0a85cd1dfdd4
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4
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+
data.tar.gz: 4360e6cfe542ae5e9db004c0039187cdd551981abd53f81370a0be5ee10839de
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5
5
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SHA512:
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6
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-
metadata.gz:
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7
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-
data.tar.gz:
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6
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+
metadata.gz: 5fe065bae48fbf7a36b1b409a17c7ff1c805bd83ad6f04b43267c024ca25d334dd5ea1092346bea5d38226c0a4bbb773d88c7487bd6adf884ae307e31884335d
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7
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+
data.tar.gz: 5ad569a9c25ef3fc9f454ce60634323ed3da644d1dc663fa949bc779630f25b1d8ba1c54ea21c4c5bd57efb6146e27ebca57e86bfa6fea8a60fad37ce09e93e2
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@@ -39,11 +39,11 @@ module Labimotion
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39
39
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helpers do
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40
40
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def convert_structure(molfile)
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41
41
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molecule_viewer = Matrice.molecule_viewer
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42
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-
if molecule_viewer.blank? || molecule_viewer[:
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42
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+
if molecule_viewer.blank? || molecule_viewer[:chembox].blank?
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43
43
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{ molfile: molfile }
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44
44
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else
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45
45
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options = { timeout: 10, body: { mol: molfile }.to_json, headers: { 'Content-Type' => 'application/json' } }
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46
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-
response = HTTParty.post("#{molecule_viewer[:
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46
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+
response = HTTParty.post("#{molecule_viewer[:chembox]}/core/rdkit/v1/structure", options)
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47
47
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if response.code == 200
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48
48
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{ molfile: (response.parsed_response && response.parsed_response['molfile']) || molfile }
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49
49
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else
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data/lib/labimotion/version.rb
CHANGED