nmr-processing 9.3.2 → 9.3.3

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.
@@ -99,19 +99,21 @@ function pushDelta(range, acsRanges, options) {
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  }
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  strings += `${Math.min(...fromTo).toFixed(options.nbDecimalDelta)}-${Math.max(...fromTo).toFixed(options.nbDecimalDelta)}`;
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  strings += ` (${getIntegral(range, options)}`;
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- for (let signal of signals) {
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- parenthesis = [];
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- if (signal.delta !== undefined) {
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- strings = appendSeparator(strings);
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- strings += signal.delta.toFixed(options.nbDecimalDelta);
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+ if (signals.some((signal) => signal.multiplicity || (signal.js && signal.js.length > 0))) {
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+ for (let signal of signals) {
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+ parenthesis = [];
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+ if (signal.delta !== undefined) {
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+ strings = appendSeparator(strings);
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+ strings += signal.delta.toFixed(options.nbDecimalDelta);
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+ }
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+ const range = {
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+ from: Number.MIN_SAFE_INTEGER,
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+ to: Number.MAX_SAFE_INTEGER,
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+ };
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+ switchFormat(range, signal, parenthesis, options);
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+ if (parenthesis.length > 0)
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+ strings += ` (${parenthesis.join(', ')})`;
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  }
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- const range = {
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- from: Number.MIN_SAFE_INTEGER,
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- to: Number.MAX_SAFE_INTEGER,
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- };
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- switchFormat(range, signal, parenthesis, options);
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- if (parenthesis.length > 0)
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- strings += ` (${parenthesis.join(', ')})`;
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  }
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  strings += ')';
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  }
@@ -1 +1 @@
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- 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1
+ 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@@ -14,7 +14,7 @@ function signalMultiplicityPattern(signal) {
14
14
  }
15
15
  }
16
16
  else if (signal.delta) {
17
- pattern = 's';
17
+ pattern = '';
18
18
  }
19
19
  else {
20
20
  pattern = 'm';
@@ -1 +1 @@
1
- {"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA;;;GAGG;AAEH,SAAgB,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,GAAG,CAAC;KACf;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,8DAaC"}
1
+ {"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA;;;GAGG;AAEH,SAAgB,yBAAyB,CAAC,MAAmB;IAC3D,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,OAAO,IAAI,QAAQ,CAAC,YAAY,CAAC;SAClC;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,8DAaC"}
@@ -95,19 +95,21 @@ function pushDelta(range, acsRanges, options) {
95
95
  }
96
96
  strings += `${Math.min(...fromTo).toFixed(options.nbDecimalDelta)}-${Math.max(...fromTo).toFixed(options.nbDecimalDelta)}`;
97
97
  strings += ` (${getIntegral(range, options)}`;
98
- for (let signal of signals) {
99
- parenthesis = [];
100
- if (signal.delta !== undefined) {
101
- strings = appendSeparator(strings);
102
- strings += signal.delta.toFixed(options.nbDecimalDelta);
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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@@ -11,7 +11,7 @@ export function signalMultiplicityPattern(signal) {
11
11
  }
12
12
  }
13
13
  else if (signal.delta) {
14
- pattern = 's';
14
+ pattern = '';
15
15
  }
16
16
  else {
17
17
  pattern = 'm';
@@ -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,GAAG,CAAC;KACf;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
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
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "nmr-processing",
3
- "version": "9.3.2",
3
+ "version": "9.3.3",
4
4
  "description": "Pure functions allowing to process NMR spectra.",
5
5
  "main": "./lib/index.js",
6
6
  "module": "./lib-esm/index.js",
@@ -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
- for (let signal of signals) {
153
- parenthesis = [];
154
- if (signal.delta !== undefined) {
155
- strings = appendSeparator(strings);
156
- strings += signal.delta.toFixed(options.nbDecimalDelta);
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 {
@@ -12,7 +12,7 @@ export function signalMultiplicityPattern(signal: NMRSignal1D) {
12
12
  pattern += coupling.multiplicity;
13
13
  }
14
14
  } else if (signal.delta) {
15
- pattern = 's';
15
+ pattern = '';
16
16
  } else {
17
17
  pattern = 'm';
18
18
  }