Commit e58114cd authored by pierre.tremouilhac's avatar pierre.tremouilhac
Browse files

Merge branch '682-spectra-viewer-nmrshiftdb' into 'development'

Resolve "spectra-viewer nmrshiftdb"

Closes #682

See merge request ComPlat/chemotion_ELN!910
parents a006aefe cb35cc7e
......@@ -91,6 +91,23 @@ module Chemotion
zip_io.read
end
end
resource :predict do
desc 'Predict by peaks'
params do
requires :layout, type: String
requires :peaks, type: Array
requires :molecule, type: String
end
post 'by_peaks' do
rsp = Chemotion::Jcamp::Predict.by_peaks(
params[:layout], params[:peaks], params[:molecule]
)
content_type('application/json')
rsp
end
end
end
end
end
......@@ -169,13 +169,13 @@ export default class ReactionDetails extends Component {
sampleShowOrNew({ params: { sampleID: product.id} });
}
handleProductChange(product) {
handleProductChange(product, cb) {
let {reaction} = this.state
reaction.updateMaterial(product)
reaction.changed = true
this.setState({ reaction })
this.setState({ reaction }, cb)
}
productLink(product) {
......@@ -199,7 +199,7 @@ export default class ReactionDetails extends Component {
const tabs = products.map((product, key) => {
const title = this.productLink(product);
const setState = () => this.handleProductChange(product);
const handleSampleChanged = () => this.handleProductChange(product);
const handleSampleChanged = (_, cb) => this.handleProductChange(product, cb);
return (
<Tab
......
......@@ -126,10 +126,10 @@ export default class SampleDetails extends React.Component {
});
}
handleSampleChanged(sample) {
handleSampleChanged(sample, cb) {
this.setState({
sample
});
sample,
}, cb);
}
handleAmountChanged(amount) {
......
......@@ -100,7 +100,9 @@ class ViewSpectra extends React.Component {
];
});
});
handleSampleChanged(sample);
const cb = () => this.savePeaks(peaks, layout, shift);
handleSampleChanged(sample, cb);
}
savePeaks(peaks, layout, shift) {
......@@ -162,6 +164,11 @@ class ViewSpectra extends React.Component {
input, xLabel, yLabel, peakObjs, isExist,
} = FN.buildData(jcamp.file);
const operations = [
{ name: 'write & save', value: this.writePeaks },
{ name: 'save only', value: this.savePeaks },
].filter(r => r.value);
return (
<Modal.Body>
{
......@@ -172,8 +179,7 @@ class ViewSpectra extends React.Component {
xLabel={xLabel}
yLabel={yLabel}
peakObjs={peakObjs}
writePeaks={this.writePeaks}
savePeaks={this.savePeaks}
operations={operations}
/>
}
</Modal.Body>
......
......@@ -139,3 +139,34 @@ module Chemotion
end
end
end
# Chemotion module
module Chemotion
# process Jcamp files
module Jcamp
# CreateImg module
module Predict
include HTTParty
def self.stub_by_peaks(layout, peaks, molecule)
url = Rails.configuration.spectra.url
port = Rails.configuration.spectra.port
response = HTTParty.post(
"http://#{url}:#{port}/predict/by_peaks",
body: {
layout: layout,
peaks: peaks,
molecule: molecule
}.to_json,
headers: { 'Content-Type' => 'application/json' }
)
response
end
def self.by_peaks(layout, peaks, molecule)
rsp = stub_by_peaks(layout, peaks, molecule)
rsp.parsed_response
end
end
end
end
......@@ -71,9 +71,9 @@
}
},
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"requires": {
"regenerator-runtime": "^0.12.0"
},
......@@ -107,9 +107,9 @@
}
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"requires": {
"@babel/runtime": "^7.2.0",
"@material-ui/system": "^3.0.0-alpha.0",
......@@ -149,14 +149,14 @@
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}
......@@ -184,9 +184,9 @@
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"requires": {
"loose-envify": "^1.0.0"
}
......@@ -204,9 +204,9 @@
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"version": "16.7.0",
"resolved": "https://registry.npmjs.org/react-is/-/react-is-16.7.0.tgz",
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}
}
},
......@@ -276,9 +276,9 @@
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"version": "6.5.1",
......@@ -286,18 +286,18 @@
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......@@ -1815,9 +1815,9 @@
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},
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......@@ -1830,7 +1830,7 @@
"react-notification-system": "^0.2.17",
"react-redux": "^5.1.0",
"react-router-dom": "^4.3.1",
"react-spectra-viewer": "^0.3.4",
"react-spectra-viewer": "^0.3.8",
"redux": "^4.0.1",
"redux-form": "^7.4.2",
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......@@ -1845,18 +1845,20 @@
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......@@ -2228,9 +2230,9 @@
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......@@ -2309,9 +2311,9 @@
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......@@ -2379,9 +2381,9 @@
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......@@ -2545,9 +2547,9 @@
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......@@ -3402,6 +3404,14 @@
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......
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