nmr-processing 9.3.2 → 9.3.4
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.
- package/lib/assignment/utils/getAssignment/buildAssignments.js +6 -2
- package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib/ranges/rangesToACS.js +14 -12
- package/lib/ranges/rangesToACS.js.map +1 -1
- package/lib/signal/signalMultiplicityPattern.js +1 -1
- package/lib/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js +6 -2
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib-esm/ranges/rangesToACS.js +14 -12
- package/lib-esm/ranges/rangesToACS.js.map +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
- package/package.json +1 -1
- package/src/assignment/utils/getAssignment/buildAssignments.ts +2 -0
- package/src/ranges/rangesToACS.ts +19 -11
- package/src/signal/signalMultiplicityPattern.ts +1 -1
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@@ -121,7 +121,7 @@ async function buildAssignments(props) {
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}
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exports.buildAssignments = buildAssignments;
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function annotateSpectraData(input) {
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-
var _a;
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+
var _a, _b;
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const { store, spectra, diaIDPeerPossibleAssignment, targets } = input;
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const { solutions } = store;
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const mapSignalId = {};
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@@ -161,6 +161,8 @@ function annotateSpectraData(input) {
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let signal = range.signals[signalIndex];
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if (!signal.diaIDs)
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signal.diaIDs = [];
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+
if (signal.diaIDs.includes(diaId))
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continue;
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signal.diaIDs.push(diaId);
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}
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else {
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@@ -168,7 +170,9 @@ function annotateSpectraData(input) {
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const signal = spectrum.zones[elementIndex].signals[signalIndex];
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if (!signal[axis].diaIDs)
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signal[axis].diaIDs = [];
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-
(_a = signal[axis].diaIDs) === null || _a === void 0 ? void 0 : _a.
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+
if ((_a = signal[axis].diaIDs) === null || _a === void 0 ? void 0 : _a.includes(diaId))
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continue;
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+
(_b = signal[axis].diaIDs) === null || _b === void 0 ? void 0 : _b.push(diaId);
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}
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}
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}
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@@ -1 +1 @@
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1
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-
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+
{"version":3,"file":"buildAssignments.js","sourceRoot":"","sources":["../../../../src/assignment/utils/getAssignment/buildAssignments.ts"],"names":[],"mappings":";;;;;;AAAA,8DAAkC;AAElC,yDAA0D;AAQ1D,qEAAkE;AAClE,qEAAkE;AAKlE,+EAGuC;AACvC,+CAAgE;AAEhE,uDAAoD;AACpD,mDAAgD;AAEhD,MAAM,UAAU,GAAG,CAAC,CAAqB,EAAE,CAAqB,EAAE,EAAE;IAClE,OAAO,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC;AAC3B,CAAC,CAAC;AAEF,MAAM,SAAS,GAAG,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC,EAAE,6BAAa,EAAE,CAAC;AA4CzD,SAAS,gBAAgB,CACvB,OAAsB;IAEtB,MAAM,IAAI,GAA0C;QAClD,SAAS;QACT,QAAQ;QACR,OAAO;KACR,CAAC;IACF,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,KAAK,IAAI,GAAG,IAAI,IAAI,EAAE;YACpB,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC;gBAAE,MAAM,IAAI,KAAK,CAAC,YAAY,GAAG,iBAAiB,CAAC,CAAC;SACrE;KACF;AACH,CAAC;AAyBY,QAAA,eAAe,GAAG;IAC7B,CAAC,EAAE,CAAC,CAAW,EAAE,CAAS,EAAE,EAAE,CAAC,CAAC,CAAC,eAAe,CAAC,CAAC,CAAC;IACnD,CAAC,EAAE,GAAG,EAAE,CAAC,CAAC;CACX,CAAC;AAEK,KAAK,UAAU,gBAAgB,CAAC,KAA2B;IAChE,MAAM,EACJ,OAAO,EACP,QAAQ,EACR,eAAe,EACf,OAAO,EACP,QAAQ,EACR,mBAAmB,GAAG,EAAE,EACxB,YAAY,EACZ,YAAY,EACZ,eAAe,EACf,iBAAiB,EACjB,WAAW,EAAE,eAAe,GAAG,EAAE,EACjC,OAAO,GACR,GAAG,KAAK,CAAC;IAEV,IAAI,IAAI,GAAG,IAAI,IAAI,EAAE,CAAC;IACtB,IAAI,SAAS,GAAG,IAAI,CAAC,OAAO,EAAE,CAAC;IAC/B,IAAI,eAAe,GAAG,QAAQ,CAAC;IAE/B,IAAI,KAAK,GAAqB;QAC5B,SAAS,EAAE,IAAI,qBAAO,CAAC,UAAU,CAAC;QAClC,UAAU,EAAE,CAAC;KACd,CAAC;IAEF,MAAM,gBAAgB,GAAG,IAAA,yCAAqB,EAAC,QAAQ,EAAE;QACvD,UAAU,EAAE,IAAI;KACjB,CAAC,CAAC;IAEH,IAAI,cAAc,GAAmB,EAAE,CAAC;IACxC,MAAM,WAAW,GAA0B,EAAE,CAAC;IAC9C,IAAI,qBAAqB,GAA2B,EAAE,CAAC;IACvD,IAAI,2BAA2B,GAAgC,EAAE,CAAC;IAElE,KAAK,MAAM,kBAAkB,IAAI,eAAe,EAAE;QAChD,KAAK,MAAM,QAAQ,IAAI,kBAAkB,EAAE;YACzC,MAAM,OAAO,GAAG,iBAAiB,CAAC,QAAQ,CAAC,CAAC;YAC5C,MAAM,gBAAgB,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC;YACnD,IAAI,EAAE,aAAa,EAAE,GAAG,gBAAgB;gBACtC,CAAC,CAAC,EAAE,aAAa,EAAE,gBAAgB,EAAE;gBACrC,CAAC,CAAC,MAAM,SAAS,CAAC,QAAQ,CAAC,CAAC,QAAQ,EAAE,OAAO,CAAC,CAAC;YAEjD,gBAAgB,CAAC,aAAa,CAAC,CAAC;YAEhC,IAAI,CAAC,WAAW,CAAC,QAAQ,CAAC;gBAAE,WAAW,CAAC,QAAQ,CAAC,GAAG,EAAE,CAAC;YAEvD,IAAI,cAAc,GAAG,CAAC,CAAC;YACvB,KAAK,IAAI,UAAU,IAAI,aAAa,EAAE;gBACpC,MAAM,KAAK,GAAG,UAAU,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;gBACnC,MAAM,KAAK,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBAClC,MAAM,YAAY,GAAG,uBAAe,CAAC,QAAQ,CAAC,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;gBAChE,cAAc,IAAI,UAAU,CAAC,OAAO,GAAG,YAAY,CAAC;gBACpD,WAAW,CAAC,QAAQ,CAAC,CAAC,KAAK,CAAC,GAAG;oBAC7B,GAAG,UAAU;oBACb,UAAU,EAAE,KAAK;oBACjB,YAAY,EAAE,UAAU,CAAC,OAAO,GAAG,YAAY;oBAC/C,YAAY,EAAE,YAAY;oBAC1B,UAAU,EAAE,gBAAgB,CAAC,KAAK,CAAa;iBAChD,CAAC;aACH;YACD,KAAK,IAAI,KAAK,IAAI,WAAW,CAAC,QAAQ,CAAC,EAAE;gBACvC,WAAW,CAAC,QAAQ,CAAC,CAAC,KAAK,CAAC,CAAC,YAAY,IAAI,GAAG,GAAG,cAAc,CAAC;aACnE;YACD,cAAc,CAAC,QAAQ,CAAC,GAAG;gBACzB,QAAQ,EAAE,aAAa,CAAC,MAAM;gBAC9B,YAAY,EAAE,CAAC;gBACf,mBAAmB,EAAE,mBAAmB,CAAC,QAAQ,CAAC,IAAI,CAAC;aACxD,CAAC;SACH;QAED,qBAAqB,GAAG,IAAA,yDAA2B,EAAC,qBAAqB,EAAE;YACzE,eAAe;YACf,WAAW;YACX,OAAO;SACR,CAAC,CAAC;QAEH,2BAA2B,GAAG,EAAE,CAAC;QACjC,KAAK,MAAM,QAAQ,IAAI,qBAAqB,EAAE;YAC5C,2BAA2B,CAAC,QAAQ,CAAC,GAAG,MAAM,CAAC,IAAI,CACjD,qBAAqB,CAAC,QAAQ,CAAC,CAChC,CAAC;SACH;QAED,IAAI,gBAAgB,GAAG,mBAAmB,CACxC,KAAK,EACL,cAAc,EACd,kBAAkB,CACnB,CAAC;QAEF,KAAK,GAAG;YACN,SAAS,EAAE,IAAI,qBAAO,CAAC,UAAU,CAAC;YAClC,UAAU,EAAE,CAAC;SACd,CAAC;QAEF,KAAK,IAAI,OAAO,IAAI,gBAAgB,EAAE;YACpC,IAAA,yBAAW,EACT;gBACE,gBAAgB,EAAE,kBAAkB;gBACpC,eAAe;gBACf,OAAO;gBACP,SAAS;gBACT,OAAO;gBACP,WAAW;gBACX,YAAY;gBACZ,YAAY;gBACZ,eAAe;gBACf,qBAAqB;gBACrB,2BAA2B;aAC5B,EACD,cAAc,EACd,OAAO,EACP,KAAK,CACN,CAAC;SACH;KACF;IACD,OAAO,mBAAmB,CAAC;QACzB,KAAK;QACL,OAAO;QACP,2BAA2B;QAC3B,OAAO;KACR,CAAC,CAAC;AACL,CAAC;AAzHD,4CAyHC;AASD,SAAS,mBAAmB,CAAC,KAA+B;;IAC1D,MAAM,EAAE,KAAK,EAAE,OAAO,EAAE,2BAA2B,EAAE,OAAO,EAAE,GAAG,KAAK,CAAC;IACvE,MAAM,EAAE,SAAS,EAAE,GAAG,KAAK,CAAC;IAC5B,MAAM,WAAW,GAAQ,EAAE,CAAC;IAC5B,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,OAAO,CAAgB,CAAC;IACtD,KAAK,MAAM,QAAQ,IAAI,SAAS,EAAE;QAChC,MAAM,gBAAgB,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;QAC3C,KAAK,MAAM,QAAQ,IAAI,gBAAgB,EAAE;YACvC,IAAI,MAAM,GAAG,gBAAgB,CAAC,QAAQ,CAAC,CAAC;YACxC,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,IAAI,EAAE;gBAC9B,MAAM,QAAQ,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC;gBAChC,IAAI,WAAW,CAAC,QAAQ,CAAC;oBAAE,SAAS;gBACpC,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,GAAG,IAAA,6BAAa,EAAC,QAAQ,EAAE,OAAO,CAAC,CAAC;aAChE;SACF;KACF;IAED,MAAM,MAAM,GAAG,EAAE,CAAC;IAClB,KAAK,IAAI,QAAQ,IAAI,SAAS,CAAC,QAAQ,EAAE;QACvC,MAAM,aAAa,GAAG,IAAI,CAAC,KAAK,CAC9B,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CACA,CAAC;QAC1B,MAAM,EAAE,UAAU,EAAE,KAAK,EAAE,GAAG,QAAQ,CAAC;QACvC,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,UAAU,CAAgB,CAAC;QACzD,KAAK,MAAM,QAAQ,IAAI,SAAS,EAAE;YAChC,MAAM,gBAAgB,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YAC3C,MAAM,sBAAsB,GAAG,UAAU,CAAC,QAAQ,CAAC,CAAC;YACpD,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,sBAAsB,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE;gBAClE,MAAM,QAAQ,GAAG,sBAAsB,CAAC,KAAK,CAAC,CAAC;gBAE/C,IAAI,QAAQ,KAAK,GAAG,IAAI,CAAC,QAAQ;oBAAE,SAAS;gBAE5C,MAAM,MAAM,GAAG,gBAAgB,CAAC,QAAQ,CAAC,CAAC;gBAC1C,MAAM,KAAK,GAAG,2BAA2B,CAAC,QAAQ,CAAC,CAAC,KAAK,CAAC,CAAC;gBAE3D,KAAK,IAAI,IAAI,IAAI,MAAM,CAAC,IAAI,EAAE;oBAC5B,MAAM,EAAE,aAAa,EAAE,YAAY,EAAE,WAAW,EAAE,GAChD,WAAW,CAAC,IAAI,CAAC,MAA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@@ -99,19 +99,21 @@ function pushDelta(range, acsRanges, options) {
|
|
|
99
99
|
}
|
|
100
100
|
strings += `${Math.min(...fromTo).toFixed(options.nbDecimalDelta)}-${Math.max(...fromTo).toFixed(options.nbDecimalDelta)}`;
|
|
101
101
|
strings += ` (${getIntegral(range, options)}`;
|
|
102
|
-
|
|
103
|
-
|
|
104
|
-
|
|
105
|
-
|
|
106
|
-
|
|
102
|
+
if (signals.some((signal) => signal.multiplicity || (signal.js && signal.js.length > 0))) {
|
|
103
|
+
for (let signal of signals) {
|
|
104
|
+
parenthesis = [];
|
|
105
|
+
if (signal.delta !== undefined) {
|
|
106
|
+
strings = appendSeparator(strings);
|
|
107
|
+
strings += signal.delta.toFixed(options.nbDecimalDelta);
|
|
108
|
+
}
|
|
109
|
+
const range = {
|
|
110
|
+
from: Number.MIN_SAFE_INTEGER,
|
|
111
|
+
to: Number.MAX_SAFE_INTEGER,
|
|
112
|
+
};
|
|
113
|
+
switchFormat(range, signal, parenthesis, options);
|
|
114
|
+
if (parenthesis.length > 0)
|
|
115
|
+
strings += ` (${parenthesis.join(', ')})`;
|
|
107
116
|
}
|
|
108
|
-
const range = {
|
|
109
|
-
from: Number.MIN_SAFE_INTEGER,
|
|
110
|
-
to: Number.MAX_SAFE_INTEGER,
|
|
111
|
-
};
|
|
112
|
-
switchFormat(range, signal, parenthesis, options);
|
|
113
|
-
if (parenthesis.length > 0)
|
|
114
|
-
strings += ` (${parenthesis.join(', ')})`;
|
|
115
117
|
}
|
|
116
118
|
strings += ')';
|
|
117
119
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA;;;GAGG;AAEH,SAAgB,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,
|
|
1
|
+
{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA;;;GAGG;AAEH,SAAgB,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,8DAaC"}
|
|
@@ -114,7 +114,7 @@ export async function buildAssignments(props) {
|
|
|
114
114
|
});
|
|
115
115
|
}
|
|
116
116
|
function annotateSpectraData(input) {
|
|
117
|
-
var _a;
|
|
117
|
+
var _a, _b;
|
|
118
118
|
const { store, spectra, diaIDPeerPossibleAssignment, targets } = input;
|
|
119
119
|
const { solutions } = store;
|
|
120
120
|
const mapSignalId = {};
|
|
@@ -154,6 +154,8 @@ function annotateSpectraData(input) {
|
|
|
154
154
|
let signal = range.signals[signalIndex];
|
|
155
155
|
if (!signal.diaIDs)
|
|
156
156
|
signal.diaIDs = [];
|
|
157
|
+
if (signal.diaIDs.includes(diaId))
|
|
158
|
+
continue;
|
|
157
159
|
signal.diaIDs.push(diaId);
|
|
158
160
|
}
|
|
159
161
|
else {
|
|
@@ -161,7 +163,9 @@ function annotateSpectraData(input) {
|
|
|
161
163
|
const signal = spectrum.zones[elementIndex].signals[signalIndex];
|
|
162
164
|
if (!signal[axis].diaIDs)
|
|
163
165
|
signal[axis].diaIDs = [];
|
|
164
|
-
(_a = signal[axis].diaIDs) === null || _a === void 0 ? void 0 : _a.
|
|
166
|
+
if ((_a = signal[axis].diaIDs) === null || _a === void 0 ? void 0 : _a.includes(diaId))
|
|
167
|
+
continue;
|
|
168
|
+
(_b = signal[axis].diaIDs) === null || _b === void 0 ? void 0 : _b.push(diaId);
|
|
165
169
|
}
|
|
166
170
|
}
|
|
167
171
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"buildAssignments.js","sourceRoot":"","sources":["../../../../src/assignment/utils/getAssignment/buildAssignments.ts"],"names":[],"mappings":"AAAA,OAAO,OAAO,MAAM,aAAa,CAAC;AAElC,OAAO,EAAE,qBAAqB,EAAE,MAAM,mBAAmB,CAAC;AAQ1D,OAAO,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAClE,OAAO,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAKlE,OAAO,EACL,2BAA2B,GAE5B,MAAM,+BAA+B,CAAC;AACvC,OAAO,EAAsB,WAAW,EAAE,MAAM,eAAe,CAAC;AAEhE,OAAO,EAAE,eAAe,EAAE,MAAM,mBAAmB,CAAC;AACpD,OAAO,EAAE,aAAa,EAAE,MAAM,iBAAiB,CAAC;AAEhD,MAAM,UAAU,GAAG,CAAC,CAAqB,EAAE,CAAqB,EAAE,EAAE;IAClE,OAAO,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC;AAC3B,CAAC,CAAC;AAEF,MAAM,SAAS,GAAG,EAAE,CAAC,EAAE,aAAa,EAAE,CAAC,EAAE,aAAa,EAAE,CAAC;AA4CzD,SAAS,gBAAgB,CACvB,OAAsB;IAEtB,MAAM,IAAI,GAA0C;QAClD,SAAS;QACT,QAAQ;QACR,OAAO;KACR,CAAC;IACF,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,KAAK,IAAI,GAAG,IAAI,IAAI,EAAE;YACpB,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC;gBAAE,MAAM,IAAI,KAAK,CAAC,YAAY,GAAG,iBAAiB,CAAC,CAAC;SACrE;KACF;AACH,CAAC;AAyBD,MAAM,CAAC,MAAM,eAAe,GAAG;IAC7B,CAAC,EAAE,CAAC,CAAW,EAAE,CAAS,EAAE,EAAE,CAAC,CAAC,CAAC,eAAe,CAAC,CAAC,CAAC;IACnD,CAAC,EAAE,GAAG,EAAE,CAAC,CAAC;CACX,CAAC;AAEF,MAAM,CAAC,KAAK,UAAU,gBAAgB,CAAC,KAA2B;IAChE,MAAM,EACJ,OAAO,EACP,QAAQ,EACR,eAAe,EACf,OAAO,EACP,QAAQ,EACR,mBAAmB,GAAG,EAAE,EACxB,YAAY,EACZ,YAAY,EACZ,eAAe,EACf,iBAAiB,EACjB,WAAW,EAAE,eAAe,GAAG,EAAE,EACjC,OAAO,GACR,GAAG,KAAK,CAAC;IAEV,IAAI,IAAI,GAAG,IAAI,IAAI,EAAE,CAAC;IACtB,IAAI,SAAS,GAAG,IAAI,CAAC,OAAO,EAAE,CAAC;IAC/B,IAAI,eAAe,GAAG,QAAQ,CAAC;IAE/B,IAAI,KAAK,GAAqB;QAC5B,SAAS,EAAE,IAAI,OAAO,CAAC,UAAU,CAAC;QAClC,UAAU,EAAE,CAAC;KACd,CAAC;IAEF,MAAM,gBAAgB,GAAG,qBAAqB,CAAC,QAAQ,EAAE;QACvD,UAAU,EAAE,IAAI;KACjB,CAAC,CAAC;IAEH,IAAI,cAAc,GAAmB,EAAE,CAAC;IACxC,MAAM,WAAW,GAA0B,EAAE,CAAC;IAC9C,IAAI,qBAAqB,GAA2B,EAAE,CAAC;IACvD,IAAI,2BAA2B,GAAgC,EAAE,CAAC;IAElE,KAAK,MAAM,kBAAkB,IAAI,eAAe,EAAE;QAChD,KAAK,MAAM,QAAQ,IAAI,kBAAkB,EAAE;YACzC,MAAM,OAAO,GAAG,iBAAiB,CAAC,QAAQ,CAAC,CAAC;YAC5C,MAAM,gBAAgB,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC;YACnD,IAAI,EAAE,aAAa,EAAE,GAAG,gBAAgB;gBACtC,CAAC,CAAC,EAAE,aAAa,EAAE,gBAAgB,EAAE;gBACrC,CAAC,CAAC,MAAM,SAAS,CAAC,QAAQ,CAAC,CAAC,QAAQ,EAAE,OAAO,CAAC,CAAC;YAEjD,gBAAgB,CAAC,aAAa,CAAC,CAAC;YAEhC,IAAI,CAAC,WAAW,CAAC,QAAQ,CAAC;gBAAE,WAAW,CAAC,QAAQ,CAAC,GAAG,EAAE,CAAC;YAEvD,IAAI,cAAc,GAAG,CAAC,CAAC;YACvB,KAAK,IAAI,UAAU,IAAI,aAAa,EAAE;gBACpC,MAAM,KAAK,GAAG,UAAU,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;gBACnC,MAAM,KAAK,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBAClC,MAAM,YAAY,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;gBAChE,cAAc,IAAI,UAAU,CAAC,OAAO,GAAG,YAAY,CAAC;gBACpD,WAAW,CAAC,QAAQ,CAAC,CAAC,KAAK,CAAC,GAAG;oBAC7B,GAAG,UAAU;oBACb,UAAU,EAAE,KAAK;oBACjB,YAAY,EAAE,UAAU,CAAC,OAAO,GAAG,YAAY;oBAC/C,YAAY,EAAE,YAAY;oBAC1B,UAAU,EAAE,gBAAgB,CAAC,KAAK,CAAa;iBAChD,CAAC;aACH;YACD,KAAK,IAAI,KAAK,IAAI,WAAW,CAAC,QAAQ,CAAC,EAAE;gBACvC,WAAW,CAAC,QAAQ,CAAC,CAAC,KAAK,CAAC,CAAC,YAAY,IAAI,GAAG,GAAG,cAAc,CAAC;aACnE;YACD,cAAc,CAAC,QAAQ,CAAC,GAAG;gBACzB,QAAQ,EAAE,aAAa,CAAC,MAAM;gBAC9B,YAAY,EAAE,CAAC;gBACf,mBAAmB,EAAE,mBAAmB,CAAC,QAAQ,CAAC,IAAI,CAAC;aACxD,CAAC;SACH;QAED,qBAAqB,GAAG,2BAA2B,CAAC,qBAAqB,EAAE;YACzE,eAAe;YACf,WAAW;YACX,OAAO;SACR,CAAC,CAAC;QAEH,2BAA2B,GAAG,EAAE,CAAC;QACjC,KAAK,MAAM,QAAQ,IAAI,qBAAqB,EAAE;YAC5C,2BAA2B,CAAC,QAAQ,CAAC,GAAG,MAAM,CAAC,IAAI,CACjD,qBAAqB,CAAC,QAAQ,CAAC,CAChC,CAAC;SACH;QAED,IAAI,gBAAgB,GAAG,mBAAmB,CACxC,KAAK,EACL,cAAc,EACd,kBAAkB,CACnB,CAAC;QAEF,KAAK,GAAG;YACN,SAAS,EAAE,IAAI,OAAO,CAAC,UAAU,CAAC;YAClC,UAAU,EAAE,CAAC;SACd,CAAC;QAEF,KAAK,IAAI,OAAO,IAAI,gBAAgB,EAAE;YACpC,WAAW,CACT;gBACE,gBAAgB,EAAE,kBAAkB;gBACpC,eAAe;gBACf,OAAO;gBACP,SAAS;gBACT,OAAO;gBACP,WAAW;gBACX,YAAY;gBACZ,YAAY;gBACZ,eAAe;gBACf,qBAAqB;gBACrB,2BAA2B;aAC5B,EACD,cAAc,EACd,OAAO,EACP,KAAK,CACN,CAAC;SACH;KACF;IACD,OAAO,mBAAmB,CAAC;QACzB,KAAK;QACL,OAAO;QACP,2BAA2B;QAC3B,OAAO;KACR,CAAC,CAAC;AACL,CAAC;AASD,SAAS,mBAAmB,CAAC,KAA+B;;IAC1D,MAAM,EAAE,KAAK,EAAE,OAAO,EAAE,2BAA2B,EAAE,OAAO,EAAE,GAAG,KAAK,CAAC;IACvE,MAAM,EAAE,SAAS,EAAE,GAAG,KAAK,CAAC;IAC5B,MAAM,WAAW,GAAQ,EAAE,CAAC;IAC5B,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,OAAO,CAAgB,CAAC;IACtD,KAAK,MAAM,QAAQ,IAAI,SAAS,EAAE;QAChC,MAAM,gBAAgB,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;QAC3C,KAAK,MAAM,QAAQ,IAAI,gBAAgB,EAAE;YACvC,IAAI,MAAM,GAAG,gBAAgB,CAAC,QAAQ,CAAC,CAAC;YACxC,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,IAAI,EAAE;gBAC9B,MAAM,QAAQ,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC;gBAChC,IAAI,WAAW,CAAC,QAAQ,CAAC;oBAAE,SAAS;gBACpC,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,GAAG,aAAa,CAAC,QAAQ,EAAE,OAAO,CAAC,CAAC;aAChE;SACF;KACF;IAED,MAAM,MAAM,GAAG,EAAE,CAAC;IAClB,KAAK,IAAI,QAAQ,IAAI,SAAS,CAAC,QAAQ,EAAE;QACvC,MAAM,aAAa,GAAG,IAAI,CAAC,KAAK,CAC9B,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CACA,CAAC;QAC1B,MAAM,EAAE,UAAU,EAAE,KAAK,EAAE,GAAG,QAAQ,CAAC;QACvC,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,UAAU,CAAgB,CAAC;QACzD,KAAK,MAAM,QAAQ,IAAI,SAAS,EAAE;YAChC,MAAM,gBAAgB,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YAC3C,MAAM,sBAAsB,GAAG,UAAU,CAAC,QAAQ,CAAC,CAAC;YACpD,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,sBAAsB,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE;gBAClE,MAAM,QAAQ,GAAG,sBAAsB,CAAC,KAAK,CAAC,CAAC;gBAE/C,IAAI,QAAQ,KAAK,GAAG,IAAI,CAAC,QAAQ;oBAAE,SAAS;gBAE5C,MAAM,MAAM,GAAG,gBAAgB,C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|
@@ -95,19 +95,21 @@ function pushDelta(range, acsRanges, options) {
|
|
|
95
95
|
}
|
|
96
96
|
strings += `${Math.min(...fromTo).toFixed(options.nbDecimalDelta)}-${Math.max(...fromTo).toFixed(options.nbDecimalDelta)}`;
|
|
97
97
|
strings += ` (${getIntegral(range, options)}`;
|
|
98
|
-
|
|
99
|
-
|
|
100
|
-
|
|
101
|
-
|
|
102
|
-
|
|
98
|
+
if (signals.some((signal) => signal.multiplicity || (signal.js && signal.js.length > 0))) {
|
|
99
|
+
for (let signal of signals) {
|
|
100
|
+
parenthesis = [];
|
|
101
|
+
if (signal.delta !== undefined) {
|
|
102
|
+
strings = appendSeparator(strings);
|
|
103
|
+
strings += signal.delta.toFixed(options.nbDecimalDelta);
|
|
104
|
+
}
|
|
105
|
+
const range = {
|
|
106
|
+
from: Number.MIN_SAFE_INTEGER,
|
|
107
|
+
to: Number.MAX_SAFE_INTEGER,
|
|
108
|
+
};
|
|
109
|
+
switchFormat(range, signal, parenthesis, options);
|
|
110
|
+
if (parenthesis.length > 0)
|
|
111
|
+
strings += ` (${parenthesis.join(', ')})`;
|
|
103
112
|
}
|
|
104
|
-
const range = {
|
|
105
|
-
from: Number.MIN_SAFE_INTEGER,
|
|
106
|
-
to: Number.MAX_SAFE_INTEGER,
|
|
107
|
-
};
|
|
108
|
-
switchFormat(range, signal, parenthesis, options);
|
|
109
|
-
if (parenthesis.length > 0)
|
|
110
|
-
strings += ` (${parenthesis.join(', ')})`;
|
|
111
113
|
}
|
|
112
114
|
strings += ')';
|
|
113
115
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":"AACA;;;GAGG;AAEH,MAAM,UAAU,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,
|
|
1
|
+
{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":"AACA;;;GAGG;AAEH,MAAM,UAAU,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
|
package/package.json
CHANGED
|
@@ -289,11 +289,13 @@ function annotateSpectraData(input: AnnotateSpectraDataInput) {
|
|
|
289
289
|
let range = ranges[elementIndex];
|
|
290
290
|
let signal = range.signals[signalIndex];
|
|
291
291
|
if (!signal.diaIDs) signal.diaIDs = [];
|
|
292
|
+
if (signal.diaIDs.includes(diaId)) continue;
|
|
292
293
|
signal.diaIDs.push(diaId);
|
|
293
294
|
} else {
|
|
294
295
|
const axis = link.axis as 'x' | 'y';
|
|
295
296
|
const signal = spectrum.zones[elementIndex].signals[signalIndex];
|
|
296
297
|
if (!signal[axis].diaIDs) signal[axis].diaIDs = [];
|
|
298
|
+
if (signal[axis].diaIDs?.includes(diaId)) continue;
|
|
297
299
|
signal[axis].diaIDs?.push(diaId);
|
|
298
300
|
}
|
|
299
301
|
}
|
|
@@ -149,18 +149,26 @@ function pushDelta(range: NMRRange, acsRanges: string[], options: any) {
|
|
|
149
149
|
options.nbDecimalDelta,
|
|
150
150
|
)}-${Math.max(...fromTo).toFixed(options.nbDecimalDelta)}`;
|
|
151
151
|
strings += ` (${getIntegral(range, options)}`;
|
|
152
|
-
|
|
153
|
-
|
|
154
|
-
|
|
155
|
-
|
|
156
|
-
|
|
152
|
+
|
|
153
|
+
if (
|
|
154
|
+
signals.some(
|
|
155
|
+
(signal) =>
|
|
156
|
+
signal.multiplicity || (signal.js && signal.js.length > 0),
|
|
157
|
+
)
|
|
158
|
+
) {
|
|
159
|
+
for (let signal of signals) {
|
|
160
|
+
parenthesis = [];
|
|
161
|
+
if (signal.delta !== undefined) {
|
|
162
|
+
strings = appendSeparator(strings);
|
|
163
|
+
strings += signal.delta.toFixed(options.nbDecimalDelta);
|
|
164
|
+
}
|
|
165
|
+
const range: NMRRange = {
|
|
166
|
+
from: Number.MIN_SAFE_INTEGER,
|
|
167
|
+
to: Number.MAX_SAFE_INTEGER,
|
|
168
|
+
};
|
|
169
|
+
switchFormat(range, signal, parenthesis, options);
|
|
170
|
+
if (parenthesis.length > 0) strings += ` (${parenthesis.join(', ')})`;
|
|
157
171
|
}
|
|
158
|
-
const range: NMRRange = {
|
|
159
|
-
from: Number.MIN_SAFE_INTEGER,
|
|
160
|
-
to: Number.MAX_SAFE_INTEGER,
|
|
161
|
-
};
|
|
162
|
-
switchFormat(range, signal, parenthesis, options);
|
|
163
|
-
if (parenthesis.length > 0) strings += ` (${parenthesis.join(', ')})`;
|
|
164
172
|
}
|
|
165
173
|
strings += ')';
|
|
166
174
|
} else {
|