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The claim that 50-00-0 was the lowest CAS number is false
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2 files changed

+4
-14
lines changed

2 files changed

+4
-14
lines changed

misc/extra/src/main/java/org/openscience/cdk/index/CASNumber.java

Lines changed: 2 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -73,14 +73,8 @@ public static boolean isValid(String casNumber) {
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String part1 = matcher.group(1);
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String part2 = matcher.group(2);
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String part3 = matcher.group(3);
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int part1value = Integer.parseInt(part1);
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if (part1value < 50) {
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overall = false;
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// CAS numbers start at 50-00-0
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} else {
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int digit = CASNumber.calculateCheckDigit(part1, part2);
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overall = overall && (digit == Integer.parseInt(part3));
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}
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int digit = CASNumber.calculateCheckDigit(part1, part2);
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overall = overall && (digit == Integer.parseInt(part3));
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}
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8680
return overall;

misc/test-extra/src/test/java/org/openscience/cdk/index/CASNumberTest.java

Lines changed: 2 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,5 @@
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/* Copyright (C) 2003-2007 The Chemistry Development Kit (CDK) project
2+
* 2020 Egon Willighagen <egon.willighagen@gmail.com>
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*
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* Contact: cdk-devel@lists.sourceforge.net
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*
@@ -38,6 +39,7 @@ public class CASNumberTest extends CDKTestCase {
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@Test
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public void testValidNumbers() {
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// valid cas numbers
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Assert.assertTrue(CASNumber.isValid("36-88-4"));
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Assert.assertTrue(CASNumber.isValid("50-00-0")); // formaldehyde
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Assert.assertTrue(CASNumber.isValid("548-00-5"));
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Assert.assertTrue(CASNumber.isValid("2622-26-6"));
@@ -59,12 +61,6 @@ public void testInvalidCheckDigits() {
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Assert.assertFalse(CASNumber.isValid("50-00-9"));
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}
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@Test
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public void testLargerThanFirst() {
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// valid format, but wrong number, the first is 50-00-0
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Assert.assertFalse(CASNumber.isValid("3-21-4"));
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}
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6864
@Test
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public void testWrongHyphenPositions() {
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// invalid format due to invalid hyphen positions

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